============================ N O N - W E I G H T S ============================ STATE (WITH 6 CONFIGURATIONS): ------------------------------- THERE ARE 6 ORBITALS AS FOLLOWS: 1s 2s 2p 3s 3p 3d CONFIGURATION 1 ( OCCUPIED ORBITALS= 1 ): 1s( 2) COUPLING SCHEME: 1S0 CONFIGURATION 2 ( OCCUPIED ORBITALS= 1 ): 2s( 2) COUPLING SCHEME: 1S0 CONFIGURATION 3 ( OCCUPIED ORBITALS= 1 ): 2p( 2) COUPLING SCHEME: 1S0 CONFIGURATION 4 ( OCCUPIED ORBITALS= 1 ): 3s( 2) COUPLING SCHEME: 1S0 CONFIGURATION 5 ( OCCUPIED ORBITALS= 1 ): 3p( 2) COUPLING SCHEME: 1S0 CONFIGURATION 6 ( OCCUPIED ORBITALS= 1 ): 3d( 2) COUPLING SCHEME: 1S0 =================== MCHF ... 1988 =================== THE DIMENSIONS FOR THE CURRENT VERSION ARE: NCFG=100 NWF= 30 NO=220 H- 1S 1. 220 6 3 6 F T F.1D-09.1D-06 12 00.0 0 T F WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-07 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F TOTAL ENERGY = -0.497742112 WEIGHTS 1 0.9877 2 -0.0751 3 0.1363 4 -0.0038 5 0.0123 6 -0.0003 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 1.0D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 2.4D-07 C( 1s 2s) = -0.13057 V( 1s 2s) = 3.79178 EPS = 0.025000 E( 1s 3s) = -0.01738 E( 3s 1s) = 0.00001 E( 2s 3s) = 0.30292 E( 3s 2s) = 0.00001 E( 2s 1s) = 3.53586 E( 1s 2s) = 0.02046 E( 2p 3p) = 0.30410 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>=-1.5D-01 < 3s| 1s>= 1.1D-01 1s 0.0682361 1.2067217 1.7345784 1.15D-01 < 3s| 2s>=-1.0D-01 < 1s| 2s>=-5.6D-01 2s 0.9461083 2.1949844 2.2209108** 6.34D-01 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>=-9.7D-02 2p 0.6990320 0.6830507 1.1167061** 1.05D-01 < 1s| 2s>=-3.7D-08 TOTAL ENERGY = -0.511591059 WEIGHTS 1 0.9713 2 -0.2046 3 0.1206 4 -0.0016 5 0.0102 6 -0.0035 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 1.61D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 1.4D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 4.9D-07 C( 1s 2s) = -0.21906 V( 1s 2s) = 1.99484 EPS = 0.025000 E( 1s 3s) = 0.01921 E( 3s 1s) = 0.00001 E( 2s 3s) = -0.01126 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.28524 E( 1s 2s) = 0.05805 E( 2p 3p) = 0.27181 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>= 2.0D-01 < 3s| 1s>=-6.9D-02 1s 0.2137438 1.5852929 1.2676386 9.99D-02 < 3s| 2s>= 7.7D-02 < 1s| 2s>= 4.2D-01 2s 0.6764607 1.9078049 1.0886817** 2.31D-01 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>= 2.5D-02 2p 0.9687825 0.9656888 0.9552420** 1.35D-01 < 1s| 2s>=-2.1D-08 TOTAL ENERGY = -0.514475281 WEIGHTS 1 0.9751 2 -0.1885 3 0.1164 4 -0.0023 5 0.0097 6 0.0007 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 1.37D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 2.0D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 9.8D-07 C( 1s 2s) = 0.18827 V( 1s 2s) = 1.98837 EPS =-0.025000 E( 1s 3s) = -0.01149 E( 3s 1s) = 0.00001 E( 2s 3s) = 0.06676 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.47842 E( 1s 2s) = 0.05645 E( 2p 3p) = 0.33958 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>=-1.9D-01 < 3s| 1s>= 9.9D-02 1s 0.1198796 1.2250403 1.1684795 9.66D-02 < 3s| 2s>=-8.1D-02 < 1s| 2s>=-3.8D-01 2s 0.6776038 1.9287287 1.1999660** 3.10D-01 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>=-8.0D-02 2p 0.7896554 0.6753178 1.1445864** 1.37D-01 < 1s| 2s>=-2.0D-08 TOTAL ENERGY = -0.514794045 WEIGHTS 1 0.9644 2 -0.2376 3 0.1153 4 -0.0015 5 0.0095 6 -0.0030 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 1.33D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 2.7D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 2.0D-06 C( 1s 2s) = -0.18146 V( 1s 2s) = 1.85567 EPS = 0.025000 E( 1s 3s) = 0.01753 E( 3s 1s) = 0.00001 E( 2s 3s) = -0.00959 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.15795 E( 1s 2s) = 0.06929 E( 2p 3p) = 0.27521 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>= 1.7D-01 < 3s| 1s>=-6.0D-02 1s 0.2182105 1.5563340 1.1949152 8.69D-02 < 3s| 2s>= 5.9D-02 < 1s| 2s>= 3.7D-01 2s 0.6051425 1.8235924 1.0727674** 2.21D-01 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>= 2.9D-02 2p 0.9986203 0.9438251 0.9571539** 1.22D-01 < 1s| 2s>=-1.5D-08 TOTAL ENERGY = -0.517613634 WEIGHTS 1 0.9726 2 -0.2021 3 0.1143 4 -0.0023 5 0.0095 6 0.0005 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 1.19D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 3.8D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 3.9D-06 C( 1s 2s) = 0.15625 V( 1s 2s) = 1.88928 EPS =-0.025000 E( 1s 3s) = -0.00811 E( 3s 1s) = 0.00001 E( 2s 3s) = 0.05383 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.38024 E( 1s 2s) = 0.06138 E( 2p 3p) = 0.33695 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>=-1.5D-01 < 3s| 1s>= 7.3D-02 1s 0.1377224 1.2683789 1.0863231 7.46D-02 < 3s| 2s>=-6.1D-02 < 1s| 2s>=-2.9D-01 2s 0.6947286 1.9222880 1.0907527** 2.14D-01 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>=-5.8D-02 2p 0.8580414 0.7159760 1.1024397** 1.08D-01 < 1s| 2s>=-1.1D-08 TOTAL ENERGY = -0.518478991 WEIGHTS 1 0.9651 2 -0.2359 3 0.1134 4 -0.0015 5 0.0094 6 -0.0027 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 1.03D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 5.4D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 7.8D-06 C( 1s 2s) = -0.14328 V( 1s 2s) = 1.89877 EPS = 0.025000 E( 1s 3s) = 0.01333 E( 3s 1s) = 0.00001 E( 2s 3s) = 0.00001 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.18127 E( 1s 2s) = 0.06955 E( 2p 3p) = 0.28453 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>= 1.2D-01 < 3s| 1s>=-4.6D-02 1s 0.2104136 1.5178610 1.0948154 6.17D-02 < 3s| 2s>= 4.4D-02 < 1s| 2s>= 2.6D-01 2s 0.6331611 1.8458716 1.0260539** 1.61D-01 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>= 2.5D-02 2p 1.0269104 0.9224733 0.9617637** 9.30D-02 < 1s| 2s>=-7.6D-09 TOTAL ENERGY = -0.520841723 WEIGHTS 1 0.9714 2 -0.2087 3 0.1129 4 -0.0021 5 0.0094 6 0.0000 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 8.42D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 7.5D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 1.6D-05 C( 1s 2s) = 0.11264 V( 1s 2s) = 1.92816 EPS =-0.025000 E( 1s 3s) = -0.00331 E( 3s 1s) = 0.00001 E( 2s 3s) = 0.04221 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.33775 E( 1s 2s) = 0.06337 E( 2p 3p) = 0.33335 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>=-8.7D-02 < 3s| 1s>= 4.0D-02 1s 0.1565385 1.3328122 1.0235962 4.27D-02 < 3s| 2s>=-3.5D-02 < 1s| 2s>=-1.7D-01 2s 0.7052509 1.9192087 1.0351302** 1.20D-01 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>=-3.1D-02 2p 0.9515175 0.7850236 1.0524298** 6.44D-02 < 1s| 2s>=-3.7D-09 TOTAL ENERGY = -0.522354179 WEIGHTS 1 0.9669 2 -0.2290 3 0.1118 4 -0.0015 5 0.0094 6 -0.0021 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 5.87D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 1.1D-09 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 3.1D-05 C( 1s 2s) = -0.08277 V( 1s 2s) = 1.95097 EPS = 0.025000 E( 1s 3s) = 0.00711 E( 3s 1s) = 0.00001 E( 2s 3s) = 0.01528 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.23309 E( 1s 2s) = 0.06813 E( 2p 3p) = 0.30018 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>= 4.4D-02 < 3s| 1s>=-1.9D-02 1s 0.1932119 1.4519460 1.0147460 2.19D-02 < 3s| 2s>= 1.7D-02 < 1s| 2s>= 8.9D-02 2s 0.6733693 1.8806214 0.9965996** 6.15D-02 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>= 1.1D-02 2p 1.0310084 0.8769338 0.9781560** 4.17D-02 < 1s| 2s>=-9.9D-10 TOTAL ENERGY = -0.523793230 WEIGHTS 1 0.9696 2 -0.2173 3 0.1117 4 -0.0018 5 0.0094 6 -0.0008 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 3.00D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 1.5D-09 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 6.3D-05 C( 1s 2s) = 0.03992 V( 1s 2s) = 1.96837 EPS =-0.020280 E( 1s 3s) = 0.00335 E( 3s 1s) = 0.00001 E( 2s 3s) = 0.02593 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.28223 E( 1s 2s) = 0.06550 E( 2p 3p) = 0.32315 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>=-6.7D-04 < 3s| 1s>= 2.4D-04 1s 0.1801579 1.4154085 0.9995875 7.88D-04 < 3s| 2s>= 1.7D-04 < 1s| 2s>= 7.9D-04 2s 0.6970222 1.9040455 1.0013707** 2.55D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>=-7.7D-04 2p 1.0485815 0.8685574 1.0040569** 6.35D-03 TOTAL ENERGY = -0.524204847 WEIGHTS 1 0.9691 2 -0.2199 3 0.1109 4 -0.0017 5 0.0095 6 -0.0013 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 1.08D-03 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 2.1D-09 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 1.3D-04 C( 1s 2s) = 0.00066 V( 1s 2s) = 1.98138 EPS =-0.000334 E( 1s 3s) = 0.00341 E( 3s 1s) = 0.00001 E( 2s 3s) = 0.02547 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.27839 E( 1s 2s) = 0.06584 E( 2p 3p) = 0.31939 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>=-2.5D-04 < 3s| 1s>= 9.2D-06 1s 0.1806703 1.4148674 0.9998701 2.24D-04 < 3s| 2s>= 6.1D-05 < 1s| 2s>= 3.1D-04 2s 0.6949751 1.9021753 1.0004816** 7.55D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>=-3.1D-04 2p 1.0408514 0.8636879 1.0010372** 1.77D-03 TOTAL ENERGY = -0.524205490 WEIGHTS 1 0.9690 2 -0.2203 3 0.1110 4 -0.0017 5 0.0095 6 -0.0012 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 3.07D-04 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 2.9D-09 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 2.5D-04 C( 1s 2s) = 0.00018 V( 1s 2s) = 1.97964 EPS =-0.000092 E( 1s 3s) = 0.00343 E( 3s 1s) = 0.00001 E( 2s 3s) = 0.02532 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.27677 E( 1s 2s) = 0.06598 E( 2p 3p) = 0.31831 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>=-9.3D-05 < 3s| 1s>=-2.4D-05 1s 0.1808613 1.4147266 0.9999502 8.70D-05 < 3s| 2s>= 3.4D-05 < 1s| 2s>= 1.6D-04 2s 0.6941731 1.9014319 1.0001842** 3.02D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>=-1.1D-04 2p 1.0387409 0.8621152 1.0002978** 5.24D-04 TOTAL ENERGY = -0.524205563 WEIGHTS 1 0.9690 2 -0.2204 3 0.1111 4 -0.0017 5 0.0095 6 -0.0012 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 1.19D-04 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 4.0D-09 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 5.0D-04 C( 1s 2s) = 0.00007 V( 1s 2s) = 1.97964 EPS =-0.000033 E( 1s 3s) = 0.00342 E( 3s 1s) = 0.00001 E( 2s 3s) = 0.02528 E( 3s 2s) = 0.00001 E( 2s 1s) = 1.27617 E( 1s 2s) = 0.06603 E( 2p 3p) = 0.31798 E( 3p 2p) = 0.00001 EL ED AZ NORM DPM < 1s| 2s>=-3.7D-05 < 3s| 1s>=-1.8D-05 1s 0.1809336 1.4146764 0.9999794 3.72D-05 < 3s| 2s>= 1.7D-05 < 1s| 2s>= 7.8D-05 2s 0.6938864 1.9011566 1.0000711** 1.22D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 3p| 2p>=-4.5D-05 2p 1.0381192 0.8616310 1.0000913** 1.60D-04 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 5.10D-05 TOTAL ENERGY = -0.524205576 WEIGHTS 1 0.9690 2 -0.2205 3 0.1111 4 -0.0017 5 0.0095 6 -0.0012 =================== MCHF ... 1988 =================== THE DIMENSIONS FOR THE CURRENT VERSION ARE: NCFG=100 NWF= 30 NO=220 H- 1S 1. 220 6 6 6 F T F.1D-09.1D-06 12 00.0 0 T F WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-07 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F TOTAL ENERGY = -0.524205576 WEIGHTS 1 0.9690 2 -0.2205 3 0.1111 4 -0.0017 5 0.0095 6 -0.0012 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 1.0D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 2.4D-07 C( 1s 2s) = 0.00002 V( 1s 2s) = 1.97868 EPS =-0.000012 C( 1s 3s) = -0.00643 V( 1s 3s) = 0.49400 EPS = 0.013017 C( 2s 3s) = -0.00244 V( 2s 3s) = 0.07394 EPS = 0.025000 C( 2p 3p) = -0.00718 V( 2p 3p) = 0.01838 EPS = 0.025000 E( 2s 1s) = 1.27942 E( 1s 2s) = 0.06623 E( 3s 1s) = -8.95010 E( 1s 3s) = -0.00003 E( 3s 2s) = -0.07982 E( 2s 3s) = 0.00000 E( 3p 2p) = 3.58311 E( 2p 3p) = 0.02598 EL ED AZ NORM DPM < 1s| 2s>=-2.3D-03 < 1s| 3s>=-5.4D-03 1s 0.1814589 1.4133643 1.0009112 2.10D-03 < 2s| 3s>=-5.7D-03 < 1s| 2s>=-1.0D-02 2s 0.6916408 1.9092264 1.0007417** 6.73D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>= 2.3D-01 2p 1.0412446 0.8743087 1.0048338** 7.61D-02 < 1s| 3s>= 9.2D-01 < 2s| 3s>= 3.7D-01 3s 0.9312757 2.3656026 19.0586166** 6.80D-01 ED = -0.025789; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2p| 3p>= 5.9D-01 3p 0.0039407 0.0821941 41.9869192** 5.29D-01 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 1.6384166 0.2779451 3.3216367** 5.24D-01 < 1s| 3s>=-1.5D-09 < 2s| 3s>=-8.7D-08 < 2p| 3p>=-2.7D-10 TOTAL ENERGY = -0.526238986 WEIGHTS 1 0.9699 2 -0.2157 3 0.1094 4 -0.0157 5 0.0105 6 -0.0204 LEAST SELF-CONSISTENT FUNCTION IS 2p :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 1.4D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 4.9D-07 C( 1s 2s) = -0.00569 V( 1s 2s) = 1.97736 EPS = 0.002877 C( 1s 3s) = 0.00282 V( 1s 3s) = 2.71700 EPS =-0.001040 C( 2s 3s) = 0.00178 V( 2s 3s) = 0.12696 EPS =-0.014043 C( 2p 3p) = -0.00010 V( 2p 3p) = 0.02393 EPS = 0.004376 E( 2s 1s) = 1.29339 E( 1s 2s) = 0.06498 E( 3s 1s) = 1.02159 E( 1s 3s) = 0.00030 E( 3s 2s) = 1.84796 E( 2s 3s) = 0.01065 E( 3p 2p) = -2.45933 E( 2p 3p) = -0.02156 EL ED AZ NORM DPM < 1s| 2s>= 1.3D-03 < 1s| 3s>=-2.7D-03 1s 0.1847202 1.4162880 1.0009404 1.50D-03 < 2s| 3s>= 4.4D-03 < 1s| 2s>=-5.2D-03 2s 0.6902377 1.8803015 0.9980054** 5.03D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-3.2D-03 2p 1.0426153 0.8898066 0.9981180** 6.39D-03 < 1s| 3s>=-3.7D-02 < 2s| 3s>=-2.7D-02 3s 1.5624278 3.0547056 0.9528045** 1.56D-01 < 2p| 3p>= 2.2D-01 3p 1.0065815 -1.5075274 1.2184800** 4.15D-01 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 1.4462899 0.5545230 0.9684413** 1.64D-01 < 2s| 3s>= 3.9D-10 TOTAL ENERGY = -0.526910257 WEIGHTS 1 0.9706 2 -0.2130 3 0.1080 4 -0.0153 5 0.0166 6 -0.0199 LEAST SELF-CONSISTENT FUNCTION IS 3p :WEIGHTED MAXIMUM CHANGE = 6.04D-03 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 2.0D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 9.8D-07 C( 1s 2s) = -0.00574 V( 1s 2s) = 1.97736 EPS = 0.002905 C( 1s 3s) = -0.00063 V( 1s 3s) = 3.75700 EPS = 0.000168 C( 2s 3s) = -0.00001 V( 2s 3s) = 0.16556 EPS = 0.000034 C( 2p 3p) = -0.00161 V( 2p 3p) = 0.03630 EPS = 0.025000 E( 2s 1s) = 1.31279 E( 1s 2s) = 0.06327 E( 3s 1s) = 1.35017 E( 1s 3s) = 0.00033 E( 3s 2s) = 2.23681 E( 2s 3s) = 0.01147 E( 3p 2p) = -2.61107 E( 2p 3p) = -0.06396 EL ED AZ NORM DPM < 1s| 2s>= 1.0D-04 < 1s| 3s>=-1.8D-03 1s 0.1836185 1.4188607 1.0007132 8.95D-04 < 2s| 3s>= 2.6D-03 < 1s| 2s>=-5.5D-03 2s 0.6952609 1.8813375 0.9988006** 3.76D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>= 9.7D-03 2p 1.0276630 0.8436099 1.0032284** 6.61D-03 < 1s| 3s>=-3.0D-02 < 2s| 3s>=-2.0D-02 3s 2.0113258 3.3282912 0.9759700** 7.35D-02 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-3.9D-02 3p 2.1090090 -2.4697263 0.9443331** 1.47D-01 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 1.8303301 0.7442572 0.9697274** 8.08D-02 < 2s| 3s>= 3.2D-10 TOTAL ENERGY = -0.527074607 WEIGHTS 1 0.9707 2 -0.2114 3 0.1107 4 -0.0145 5 0.0161 6 -0.0188 LEAST SELF-CONSISTENT FUNCTION IS 3p :WEIGHTED MAXIMUM CHANGE = 3.57D-03 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 2.7D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 2.0D-06 C( 1s 2s) = -0.00252 V( 1s 2s) = 1.97736 EPS = 0.001273 C( 1s 3s) = -0.00094 V( 1s 3s) = 4.22007 EPS = 0.000222 C( 2s 3s) = 0.00005 V( 2s 3s) = 0.18209 EPS =-0.000298 C( 2p 3p) = -0.00048 V( 2p 3p) = 0.05157 EPS = 0.009356 E( 2s 1s) = 1.31902 E( 1s 2s) = 0.06266 E( 3s 1s) = 1.48478 E( 1s 3s) = 0.00033 E( 3s 2s) = 2.39479 E( 2s 3s) = 0.01128 E( 3p 2p) = -3.06584 E( 2p 3p) = -0.06626 EL ED AZ NORM DPM < 1s| 2s>=-1.7D-04 < 1s| 3s>=-7.4D-04 1s 0.1830971 1.4201951 1.0003038 4.81D-04 < 2s| 3s>= 1.6D-03 < 1s| 2s>=-2.9D-03 2s 0.6990217 1.8811944 0.9992854** 2.19D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-2.2D-03 2p 1.0090405 0.8221676 0.9992202** 2.61D-03 < 1s| 3s>=-1.6D-02 < 2s| 3s>=-1.0D-02 3s 2.1931547 3.4484953 0.9891985** 3.39D-02 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>= 6.7D-03 3p 2.5634696 -2.7410045 0.9777139** 4.91D-02 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 2.0630299 0.8573456 0.9835609** 3.88D-02 TOTAL ENERGY = -0.527099874 WEIGHTS 1 0.9707 2 -0.2109 3 0.1114 4 -0.0142 5 0.0157 6 -0.0182 LEAST SELF-CONSISTENT FUNCTION IS 3p :WEIGHTED MAXIMUM CHANGE = 1.14D-03 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 3.8D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 3.9D-06 C( 1s 2s) = -0.00136 V( 1s 2s) = 1.97736 EPS = 0.000686 C( 1s 3s) = -0.00036 V( 1s 3s) = 4.42991 EPS = 0.000080 C( 2s 3s) = -0.00001 V( 2s 3s) = 0.19039 EPS = 0.000048 C( 2p 3p) = -0.00002 V( 2p 3p) = 0.05851 EPS = 0.000309 E( 2s 1s) = 1.32086 E( 1s 2s) = 0.06239 E( 3s 1s) = 1.53621 E( 1s 3s) = 0.00033 E( 3s 2s) = 2.47300 E( 2s 3s) = 0.01113 E( 3p 2p) = -3.22340 E( 2p 3p) = -0.06369 EL ED AZ NORM DPM < 1s| 2s>= 3.4D-04 < 1s| 3s>=-5.1D-04 1s 0.1828468 1.4213782 1.0001994 3.22D-04 < 2s| 3s>= 1.4D-03 < 1s| 2s>=-1.1D-03 2s 0.7002956 1.8819245 0.9994073** 1.36D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-1.8D-03 2p 1.0101270 0.8208363 0.9993167** 1.72D-03 < 1s| 3s>=-6.8D-03 < 2s| 3s>=-4.5D-03 3s 2.2883948 3.5017597 0.9949480** 1.50D-02 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>= 2.8D-03 3p 2.7966342 -2.8897105 0.9891097** 2.26D-02 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 2.1942117 0.9181482 0.9917157** 1.86D-02 TOTAL ENERGY = -0.527105494 WEIGHTS 1 0.9708 2 -0.2105 3 0.1115 4 -0.0140 5 0.0153 6 -0.0179 LEAST SELF-CONSISTENT FUNCTION IS 3p :WEIGHTED MAXIMUM CHANGE = 5.00D-04 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 5.4D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 7.8D-06 C( 1s 2s) = -0.00039 V( 1s 2s) = 1.97736 EPS = 0.000198 C( 1s 3s) = 0.00006 V( 1s 3s) = 4.52699 EPS =-0.000014 C( 2s 3s) = -0.00004 V( 2s 3s) = 0.19370 EPS = 0.000188 C( 2p 3p) = 0.00000 V( 2p 3p) = 0.06144 EPS =-0.000073 E( 2s 1s) = 1.32295 E( 1s 2s) = 0.06217 E( 3s 1s) = 1.55501 E( 1s 3s) = 0.00032 E( 3s 2s) = 2.50608 E( 2s 3s) = 0.01108 E( 3p 2p) = -3.29678 E( 2p 3p) = -0.06228 EL ED AZ NORM DPM < 1s| 2s>= 3.2D-04 < 1s| 3s>=-3.0D-04 1s 0.1825548 1.4218156 1.0001126 2.46D-04 < 2s| 3s>= 8.3D-04 < 1s| 2s>=-4.8D-04 2s 0.7014499 1.8829217 0.9996500** 7.56D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-8.3D-04 2p 1.0108362 0.8206588 0.9996680** 8.18D-04 < 1s| 3s>=-1.9D-03 < 2s| 3s>=-1.2D-03 3s 2.3303650 3.5250097 0.9975834** 5.67D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>= 5.2D-04 3p 2.9101719 -2.9606960 0.9947687** 1.06D-02 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 2.2598375 0.9489349 0.9959354** 8.91D-03 TOTAL ENERGY = -0.527106784 WEIGHTS 1 0.9709 2 -0.2102 3 0.1115 4 -0.0139 5 0.0152 6 -0.0178 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 3.37D-04 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 7.5D-10 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 1.6D-05 C( 1s 2s) = -0.00007 V( 1s 2s) = 1.97736 EPS = 0.000033 C( 1s 3s) = 0.00011 V( 1s 3s) = 4.57024 EPS =-0.000025 C( 2s 3s) = -0.00002 V( 2s 3s) = 0.19494 EPS = 0.000124 C( 2p 3p) = 0.00000 V( 2p 3p) = 0.06283 EPS =-0.000037 E( 2s 1s) = 1.32422 E( 1s 2s) = 0.06204 E( 3s 1s) = 1.56437 E( 1s 3s) = 0.00032 E( 3s 2s) = 2.52261 E( 2s 3s) = 0.01107 E( 3p 2p) = -3.33301 E( 2p 3p) = -0.06161 EL ED AZ NORM DPM < 1s| 2s>= 2.0D-04 < 1s| 3s>=-1.6D-04 1s 0.1823539 1.4219421 1.0000581 1.57D-04 < 2s| 3s>= 4.3D-04 < 1s| 2s>=-2.3D-04 2s 0.7021060 1.8835541 0.9998178** 3.91D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-3.5D-04 2p 1.0111060 0.8205386 0.9998578** 3.55D-04 < 1s| 3s>=-3.6D-04 < 2s| 3s>=-1.9D-04 3s 2.3495706 3.5353499 0.9988476** 2.10D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-7.0D-05 3p 2.9644925 -2.9935827 0.9975362** 4.98D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 2.2918770 0.9640371 0.9980361** 4.26D-03 TOTAL ENERGY = -0.527107089 WEIGHTS 1 0.9709 2 -0.2100 3 0.1115 4 -0.0139 5 0.0151 6 -0.0177 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 2.15D-04 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 1.1D-09 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 3.1D-05 C( 1s 2s) = 0.00001 V( 1s 2s) = 1.97736 EPS =-0.000004 C( 1s 3s) = 0.00008 V( 1s 3s) = 4.58963 EPS =-0.000017 C( 2s 3s) = -0.00001 V( 2s 3s) = 0.19543 EPS = 0.000065 C( 2p 3p) = 0.00000 V( 2p 3p) = 0.06349 EPS =-0.000006 E( 2s 1s) = 1.32487 E( 1s 2s) = 0.06197 E( 3s 1s) = 1.56944 E( 1s 3s) = 0.00032 E( 3s 2s) = 2.53110 E( 2s 3s) = 0.01107 E( 3p 2p) = -3.35071 E( 2p 3p) = -0.06130 EL ED AZ NORM DPM < 1s| 2s>= 1.1D-04 < 1s| 3s>=-8.0D-05 1s 0.1822408 1.4219745 1.0000293 9.16D-05 < 2s| 3s>= 2.1D-04 < 1s| 2s>=-1.2D-04 2s 0.7024277 1.8838920 0.9999083** 1.98D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-1.4D-04 2p 1.0111901 0.8204401 0.9999399** 1.53D-04 < 1s| 3s>=-1.4D-06 < 2s| 3s>= 2.9D-05 3s 2.3585792 3.5400530 0.9994514** 9.38D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-1.3D-04 3p 2.9900581 -3.0086623 0.9988550** 2.31D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 2.3073797 0.9713362 0.9990572** 2.03D-03 TOTAL ENERGY = -0.527107165 WEIGHTS 1 0.9710 2 -0.2099 3 0.1115 4 -0.0139 5 0.0151 6 -0.0177 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 1.26D-04 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 1.5D-09 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 6.3D-05 C( 1s 2s) = 0.00001 V( 1s 2s) = 1.97736 EPS =-0.000007 C( 1s 3s) = 0.00004 V( 1s 3s) = 4.59850 EPS =-0.000009 C( 2s 3s) = -0.00001 V( 2s 3s) = 0.19564 EPS = 0.000033 C( 2p 3p) = 0.00000 V( 2p 3p) = 0.06380 EPS = 0.000003 E( 2s 1s) = 1.32519 E( 1s 2s) = 0.06194 E( 3s 1s) = 1.57212 E( 1s 3s) = 0.00032 E( 3s 2s) = 2.53539 E( 2s 3s) = 0.01107 E( 3p 2p) = -3.35914 E( 2p 3p) = -0.06116 EL ED AZ NORM DPM < 1s| 2s>= 5.5D-05 < 1s| 3s>=-4.1D-05 1s 0.1821815 1.4219825 1.0000149 5.21D-05 < 2s| 3s>= 1.1D-04 < 1s| 2s>=-6.3D-05 2s 0.7025803 1.8840660 0.9999536** 1.01D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-6.2D-05 2p 1.0112128 0.8203775 0.9999740** 6.70D-05 < 1s| 3s>= 4.7D-05 < 2s| 3s>= 4.5D-05 3s 2.3628524 3.5422315 0.9997379** 4.69D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-8.9D-05 3p 3.0019425 -3.0155566 0.9994717** 1.07D-03 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 2.3148393 0.9748409 0.9995484** 9.72D-04 TOTAL ENERGY = -0.527107185 WEIGHTS 1 0.9710 2 -0.2099 3 0.1116 4 -0.0139 5 0.0150 6 -0.0177 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 7.15D-05 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 2.1D-09 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 1.3D-04 C( 1s 2s) = 0.00001 V( 1s 2s) = 1.97736 EPS =-0.000005 C( 1s 3s) = 0.00002 V( 1s 3s) = 4.59850 EPS =-0.000005 C( 2s 3s) = 0.00000 V( 2s 3s) = 0.19564 EPS = 0.000017 C( 2p 3p) = 0.00000 V( 2p 3p) = 0.06395 EPS = 0.000004 E( 2s 1s) = 1.32531 E( 1s 2s) = 0.06192 E( 3s 1s) = 1.57330 E( 1s 3s) = 0.00032 E( 3s 2s) = 2.53722 E( 2s 3s) = 0.01107 E( 3p 2p) = -3.36304 E( 2p 3p) = -0.06110 EL ED AZ NORM DPM < 1s| 2s>= 2.7D-05 < 1s| 3s>=-2.0D-05 1s 0.1821520 1.4219849 1.0000073 2.92D-05 < 2s| 3s>= 4.8D-05 < 1s| 2s>=-3.3D-05 2s 0.7026334 1.8841416 0.9999792** 5.32D-05 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-2.7D-05 2p 1.0112227 0.8203419 0.9999886** 2.97D-05 < 1s| 3s>= 9.0D-05 < 2s| 3s>= 6.7D-05 3s 2.3645952 3.5431828 0.9998774** 2.53D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-5.0D-05 3p 3.0073373 -3.0186844 0.9997589** 4.87D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 2.3184478 0.9765200 0.9997837** 4.64D-04 TOTAL ENERGY = -0.527107190 WEIGHTS 1 0.9710 2 -0.2099 3 0.1116 4 -0.0139 5 0.0150 6 -0.0177 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 4.01D-05 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 2.9D-09 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 2.5D-04 C( 1s 2s) = 0.00001 V( 1s 2s) = 1.97736 EPS =-0.000003 C( 1s 3s) = 0.00001 V( 1s 3s) = 4.59850 EPS =-0.000003 C( 2s 3s) = 0.00000 V( 2s 3s) = 0.19564 EPS = 0.000013 C( 2p 3p) = 0.00000 V( 2p 3p) = 0.06402 EPS = 0.000003 E( 2s 1s) = 1.32540 E( 1s 2s) = 0.06191 E( 3s 1s) = 1.57400 E( 1s 3s) = 0.00032 E( 3s 2s) = 2.53829 E( 2s 3s) = 0.01107 E( 3p 2p) = -3.36485 E( 2p 3p) = -0.06107 EL ED AZ NORM DPM < 1s| 2s>= 1.6D-05 < 1s| 3s>=-1.1D-05 1s 0.1821366 1.4219860 1.0000039 1.67D-05 < 2s| 3s>= 2.6D-05 < 1s| 2s>=-1.6D-05 2s 0.7026747 1.8841923 0.9999887** 3.07D-05 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-1.3D-05 2p 1.0112195 0.8203246 0.9999946** 1.35D-05 < 1s| 3s>= 6.2D-05 < 2s| 3s>= 4.6D-05 3s 2.3655952 3.5436578 0.9999347** 1.41D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-3.2D-05 3p 3.0098684 -3.0201254 0.9998880** 2.26D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 2.3201489 0.9773237 0.9998965** 2.22D-04 TOTAL ENERGY = -0.527107192 WEIGHTS 1 0.9710 2 -0.2098 3 0.1116 4 -0.0139 5 0.0150 6 -0.0177 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 2.30D-05 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA:ENERGY (CFGTOL) = 4.0D-09 :FUNCTION(SCFTOL*SQRT(Z*NWF))= 5.0D-04 C( 1s 2s) = 0.00000 V( 1s 2s) = 1.97736 EPS =-0.000002 C( 1s 3s) = 0.00001 V( 1s 3s) = 4.59850 EPS =-0.000002 C( 2s 3s) = 0.00000 V( 2s 3s) = 0.19564 EPS = 0.000008 C( 2p 3p) = 0.00000 V( 2p 3p) = 0.06402 EPS = 0.000002 E( 2s 1s) = 1.32545 E( 1s 2s) = 0.06191 E( 3s 1s) = 1.57438 E( 1s 3s) = 0.00032 E( 3s 2s) = 2.53888 E( 2s 3s) = 0.01107 E( 3p 2p) = -3.36571 E( 2p 3p) = -0.06105 EL ED AZ NORM DPM < 1s| 2s>= 9.1D-06 < 1s| 3s>=-6.1D-06 1s 0.1821279 1.4219857 1.0000022 9.74D-06 < 2s| 3s>= 1.4D-05 < 1s| 2s>=-8.8D-06 2s 0.7026997 1.8842228 0.9999939** 1.80D-05 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-6.1D-06 2p 1.0112177 0.8203161 0.9999974** 6.17D-06 < 1s| 3s>= 4.1D-05 < 2s| 3s>= 3.1D-05 3s 2.3661412 3.5439060 0.9999640** 8.15D-05 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 < 2p| 3p>=-2.0D-05 3p 3.0110545 -3.0207876 0.9999478** 1.06D-04 POTENTIAL FUNCTION TOO SMALL - 2R*(Z-Y)<(L+.5)**2 3d 2.3209539 0.9777069 0.9999507** 1.06D-04 LEAST SELF-CONSISTENT FUNCTION IS 1s :WEIGHTED MAXIMUM CHANGE = 1.34D-05 TOTAL ENERGY = -0.527107192 WEIGHTS 1 0.9710 2 -0.2098 3 0.1116 4 -0.0139 5 0.0150 6 -0.0177 ============================ N O N - W E I G H T S ============================ STATE (WITH 9 CONFIGURATIONS): ------------------------------- THERE ARE 15 ORBITALS AS FOLLOWS: 2s 9p1 2ph 9s1 9d1 3sh 9p2 3ph 9s2 9d2 3dh 9p3 9f1 1s kpc CONFIGURATION 1 ( OCCUPIED ORBITALS= 2 ): 2s( 1) 9p1( 1) COUPLING SCHEME: 2S1 2P1 1P0 CONFIGURATION 2 ( OCCUPIED ORBITALS= 2 ): 2ph( 1) 9s1( 1) COUPLING SCHEME: 2P1 2S1 1P0 CONFIGURATION 3 ( OCCUPIED ORBITALS= 2 ): 2ph( 1) 9d1( 1) COUPLING SCHEME: 2P1 2D1 1P0 CONFIGURATION 4 ( OCCUPIED ORBITALS= 2 ): 3sh( 1) 9p2( 1) COUPLING SCHEME: 2S1 2P1 1P0 CONFIGURATION 5 ( OCCUPIED ORBITALS= 2 ): 3ph( 1) 9s2( 1) COUPLING SCHEME: 2P1 2S1 1P0 CONFIGURATION 6 ( OCCUPIED ORBITALS= 2 ): 3ph( 1) 9d2( 1) COUPLING SCHEME: 2P1 2D1 1P0 CONFIGURATION 7 ( OCCUPIED ORBITALS= 2 ): 3dh( 1) 9p3( 1) COUPLING SCHEME: 2D1 2P1 1P0 CONFIGURATION 8 ( OCCUPIED ORBITALS= 2 ): 3dh( 1) 9f1( 1) COUPLING SCHEME: 2D1 2F1 1P0 CONFIGURATION 9 ( OCCUPIED ORBITALS= 2 ): 1s( 1) kpc( 1) COUPLING SCHEME: 2S1 2P1 1P0 2ph is orthogonal to 9p2 2ph is orthogonal to 9p3 3sh is orthogonal to 9s2 3dh is orthogonal to 9d2 ======================= UNIX CMCHF ... 1987 ======================= THE DIMENSIONS FOR THE CURRENT VERSION ARE: NCFG= 0 NWF= 30 NO=220 H- 1P 1. 220 15 9 9 F T 3s NOT FOUND IN ELECTRON LIST 3p NOT FOUND IN ELECTRON LIST 3d NOT FOUND IN ELECTRON LIST 2p NOT FOUND IN ELECTRON LIST WAVE FUNCTIONS NOT FOUND FOR 2ph WAVE FUNCTIONS NOT FOUND FOR 3sh WAVE FUNCTIONS NOT FOUND FOR 3ph WAVE FUNCTIONS NOT FOUND FOR 3dh WAVE FUNCTIONS NOT FOUND FOR 9p1 WAVE FUNCTIONS NOT FOUND FOR 9s1 WAVE FUNCTIONS NOT FOUND FOR 9d1 WAVE FUNCTIONS NOT FOUND FOR 9p2 WAVE FUNCTIONS NOT FOUND FOR 9s2 WAVE FUNCTIONS NOT FOUND FOR 9d2 WAVE FUNCTIONS NOT FOUND FOR 9p3 WAVE FUNCTIONS NOT FOUND FOR 9f1 F.0D+00.1D-05 20 00.0 8 F *** CALCULATIONS FOR k^2 = 1.0000 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F Outer region reduced by 111points in CSOLVE. End of range: 15.642631884188 au. kpc 0.3891545 0.5806403 0.5806403 c 1.00D+00 < 2s|9s1>= 1.6D-08 < 1s|9s1>=-1.5D-09 < 2s|9s2>= 1.6D-08 <3sh|9s2>= 3.2D-09 < 1s|9s2>=-1.5D-09 1 0.041210 2 -0.001730 3 0.001988 4 -0.007556 5 -0.008235 6 -0.007830 7 -0.007489 8 -0.001740 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 8.27591E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.87860E+02 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.09584E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.08979E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.24770E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.20083E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.16552E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.35180E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2065460 0.5142597 0.8856768 c 8.84D-01 9p1 0.1975528 -0.1534876 14.4826295** 3.95D-01 ED = -1.067948; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.7D-01 < 1s|9s1>= 4.0D-02 9s1 0.0000308 -0.15691622342.2504073** 1.59D-01 9d1 0.4633839 0.2751552 62.0538470** 6.48D-01 ED = -0.192164; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 2.9D-01 9p2 0.0000308 -0.0266999 43.2433661** 2.79D-01 ED = -0.169825; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 6.7D-02 <3sh|9s2>= 1.1D-01 < 1s|9s2>=-9.5D-02 9s2 0.0000308 -0.2104514 90.4543742** 1.61D-01 ED = -0.188028; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-2.7D-01 9d2 0.0000308 -0.2132143 15.6935491** 6.53D-01 ED = -0.170782; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.6D-01 9p3 0.0000308 0.0086570 30.0511638** 4.65D-01 ED = -0.107802; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0390716 18.9023664** 6.26D-01 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.3D-07 < 2s|9s2>= 4.3D-08 <3sh|9s2>= 8.6D-09 < 1s|9s2>= 3.2D-08 <2ph|9p3>=-2.1D-10 1 0.009187 2 0.010557 3 0.185546 4 0.141300 5 0.059251 6 -0.107983 7 -0.111642 8 -0.027212 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.84D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-1.32506E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46260E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.16338E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.30644E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.70900E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.44060E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.11017E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.88562E-04 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2581702 0.5095534 0.9908485 c 2.00D-01 9p1 55.9931063 -0.8000228 1.1354574** 2.70D-01 ED = -0.282760; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-4.4D-01 < 1s|9s1>= 1.7D-01 9s1 0.0000308 -0.1071245 64.6794969** 3.05D-01 ED = -0.272933; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2212324 0.9343495** 1.35D-01 ED = -0.107295; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.2D-01 9p2 0.0000308 0.0841569 2.6179520** 4.98D-01 ED = -0.078716; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-5.6D-03 <3sh|9s2>=-3.0D-01 < 1s|9s2>= 4.1D-03 9s2 0.0000308 -0.0632873 270.2218239** 1.87D-01 ED = -0.153904; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-7.2D-01 9d2 0.0000308 -0.0537396 3.7984678** 4.79D-01 ED = -0.017002; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-7.2D-01 9p3 0.0000308 -0.2911451 2.0858663** 4.29D-01 ED = -0.121486; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0197371 1.7061595** 3.13D-01 < 2s|9s1>= 3.4D-06 < 1s|9s1>= 2.5D-06 < 2s|9s2>= 1.1D-07 <3sh|9s2>= 2.3D-08 < 1s|9s2>= 8.4D-08 1 0.018359 2 -0.168323 3 0.265796 4 0.189781 5 -0.012752 6 0.567531 7 0.453711 8 -0.029073 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.00D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) = 8.24409E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.18603E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.89442E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 5.20680E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.78412E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62033E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.59900E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.50684E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2332170 0.5122840 1.0053587 c 1.07D-01 9p1 31.3490689 -0.7305757 0.9999806** 1.70D-02 ED = -0.254408; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-1.0D-01 9s1 0.0000308 0.0445608 32.6900798** 2.07D-01 ED = -0.254286; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2369064 0.7062198** 1.74D-01 ED = -0.114717; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.6D-03 9p2 0.0000308 -0.0237016 23.9667330** 3.56D-01 ED = -0.136125; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.9D-02 <3sh|9s2>=-2.7D-01 < 1s|9s2>= 1.4D-02 9s2 0.0000308 -0.09048671075.1261857** 8.86D-02 ED = -0.102116; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-4.6D-01 9d2 0.0000308 0.0365148 0.9206921** 2.39D-01 ED = -0.084933; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.8D-01 9p3 0.0000308 -0.1670923 0.8009636** 5.51D-01 ED = -0.138256; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0017421 13.5596172** 2.63D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>= 8.1D-08 <3sh|9s2>= 1.6D-08 < 1s|9s2>= 6.0D-08 1 0.016011 2 0.021776 3 0.223892 4 0.011971 5 -0.001710 6 -0.158668 7 0.094994 8 0.001044 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 2.50D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-6.61037E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.70981E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.06228E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.48023E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.18689E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.20560E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.54240E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.84619E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2550898 0.5080095 0.9916560 c 8.57D-02 9p1 35.9911389 -0.7553179 1.0010726** 1.50D-02 ED = -0.227066; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-4.0D-01 < 1s|9s1>= 1.7D-01 9s1 0.0000308 -0.1027653 73.9208675** 2.43D-01 ED = -0.267609; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2419754 0.7620070** 1.18D-01 ED = -0.082343; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 7.9D-02 9p2 0.0000308 0.0164212 62.6707220** 2.27D-01 ED = -0.066528; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.4D-01 <3sh|9s2>= 4.8D-01 < 1s|9s2>= 6.8D-02 9s2 0.0000308 -0.1219687 375.0241621** 1.96D-01 ED = -0.106967; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.8D-01 9d2 0.0000308 -0.1434436 0.8648626** 4.76D-01 ED = -0.085734; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.7D-01 9p3 0.0000308 0.2215846 5.4160047** 6.65D-01 ED = -4.091843; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0057592 126.9890375** 3.26D-01 < 2s|9s1>= 2.7D-06 < 1s|9s1>= 2.0D-06 < 2s|9s2>= 5.2D-08 <3sh|9s2>= 1.0D-08 < 1s|9s2>= 3.9D-08 1 0.019449 2 -0.066043 3 0.202741 4 0.013524 5 0.027360 6 -0.164974 7 0.185958 8 -0.278109 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.57D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) = 2.14104E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.40785E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.31766E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.53882E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.77555E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-7.35025E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.05555E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.60695E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2654492 0.5093632 1.0026647 c 3.90D-02 9p1 29.4504256 -0.7245431 1.0006147** 7.27D-03 ED = -0.241676; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.6D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0645049 47.5909140** 2.40D-01 ED = -0.266238; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1574320 1.1949470** 2.47D-01 ED = -0.094961; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.5D-02 9p2 0.0000308 -0.0312135 148.4743069** 2.34D-01 ED = -0.116619; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 5.6D-01 <3sh|9s2>=-8.4D-02 < 1s|9s2>=-2.4D-01 9s2 0.0000308 0.7986234 9.4462662** 3.40D-01 ED = -0.082328; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-1.7D-01 9d2 0.0000308 -0.1145645 1.1514362** 2.59D-01 ED = -0.109064; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-8.6D-01 9p3 0.0000308 -0.1093689 4.4549730** 5.05D-01 ED = -0.061379; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0047059 0.7708625** 1.70D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>= 1.1D-07 <3sh|9s2>= 2.2D-08 < 1s|9s2>= 8.3D-08 1 0.013389 2 0.017623 3 0.429846 4 0.038994 5 -0.033313 6 -0.396842 7 0.006047 8 0.124146 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 9.39D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-7.78672E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.99117E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.03906E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.38780E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.43070E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.67641E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.53886E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.60329E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2989477 0.5096841 1.0006301 c 1.12D-01 9p1 43.0344794 -0.7806942 1.0014543** 1.89D-02 ED = -0.219045; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.0D-01 < 1s|9s1>= 4.2D-02 9s1 0.0000308 -0.0106776 75.2390734** 1.02D-01 ED = -0.253723; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1737555 0.4903441** 2.38D-01 ED = -0.074940; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.7D-02 9p2 0.0000308 0.0057330 45.0996187** 2.33D-01 ED = -0.096262; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 9.6D-03 <3sh|9s2>= 3.2D-01 < 1s|9s2>=-5.1D-03 9s2 0.0000308 0.0516710 77.5389511** 1.41D-01 ED = -0.114383; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-9.4D-02 9d2 0.0000308 -0.1690289 0.2716136** 2.14D-01 ED = -0.192702; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.7D-01 9p3 0.0000308 0.1868568 343.1882330** 3.88D-01 ED = -0.015920; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0017999 2.7755262** 1.38D-01 < 2s|9s1>= 1.7D-06 < 1s|9s1>= 1.3D-06 < 2s|9s2>=-2.4D-07 <3sh|9s2>=-4.8D-08 < 1s|9s2>=-1.8D-07 1 0.018917 2 -0.040470 3 0.361932 4 0.006776 5 0.012689 6 -0.180643 7 -0.027773 8 -0.035411 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.12D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) = 3.49404E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 8.49758E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.55393E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.79076E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.88823E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.50215E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.38794E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.38221E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2865678 0.5102532 1.0011165 c 4.32D-02 9p1 30.2371148 -0.7378194 1.0000531** 1.03D-02 ED = -0.251368; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.5D-01 < 1s|9s1>=-8.3D-02 9s1 0.0000308 -0.0411906 22.1592549** 2.01D-01 ED = -0.247896; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2438124 0.4283935** 1.74D-01 ED = -0.109584; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.0D-02 9p2 0.0000308 -0.0250618 127.9892940** 1.98D-01 ED = -0.098963; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.1D-01 <3sh|9s2>=-2.6D-01 < 1s|9s2>=-4.7D-02 9s2 0.0000308 0.0972988 89.0308622** 1.90D-01 ED = -0.144541; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-2.3D-01 9d2 0.0000308 -0.2379008 0.3900939** 1.76D-01 ED = -0.085666; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.7D-01 9p3 0.0000308 0.1571140 23.9056051** 5.36D-01 ED = -0.026517; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0059146 2.5265861** 1.20D-01 < 2s|9s1>= 9.3D-07 < 1s|9s1>= 6.9D-07 < 2s|9s2>= 2.3D-08 <3sh|9s2>= 4.6D-09 < 1s|9s2>= 1.7D-08 1 0.020723 2 0.065481 3 0.199968 4 -0.019042 5 -0.008974 6 -0.114280 7 0.137234 8 0.053397 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 6.28D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-2.14486E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.40811E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.79505E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 8.05929E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.08733E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.18562E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.14826E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.07532E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2650325 0.5116549 1.0027471 c 8.13D-02 9p1 27.6056581 -0.7238621 0.9998912** 1.11D-02 ED = -0.251983; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.0D-01 < 1s|9s1>= 1.5D-01 9s1 0.0000308 -0.0187564 25.3669442** 2.25D-01 ED = -0.246102; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2395873 0.8160695** 6.30D-02 ED = -0.112698; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-4.2D-02 9p2 0.0000308 0.0616408 20.8813855** 3.22D-01 ED = -0.108229; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-4.6D-01 <3sh|9s2>=-3.9D-01 < 1s|9s2>= 1.8D-01 9s2 0.0000308 -0.8519127 27.2030643** 3.08D-01 ED = -0.114751; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.0D-01 9d2 0.0000308 -0.1115115 1.6047817** 2.64D-01 ED = -0.093403; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.7D-01 9p3 0.0000308 0.3400696 0.9167715** 6.96D-01 ED = -0.101531; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0080584 1.9792803** 1.87D-01 < 2s|9s1>= 7.6D-06 < 1s|9s1>= 5.7D-06 < 2s|9s2>=-9.3D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.018744 2 -0.039180 3 0.199567 4 0.152031 5 0.038868 6 -0.306696 7 0.064332 8 -0.212744 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 9.54D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) = 3.65086E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 9.05699E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.52843E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.90901E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.04718E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.08636E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.76650E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-4.91120E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2699923 0.5071878 0.9912693 c 1.84D-02 9p1 30.6398751 -0.7351491 1.0003555** 8.77D-03 ED = -0.237465; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 7.2D-01 < 1s|9s1>=-3.0D-01 9s1 0.0000308 0.1642528 11.7469057** 4.32D-01 ED = -0.272587; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1748427 1.0532541** 1.97D-01 ED = -0.109212; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.2D-03 9p2 0.0000308 -0.0262700 14.6917906** 3.72D-01 ED = -0.096581; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.6D-02 <3sh|9s2>= 2.9D-01 < 1s|9s2>=-1.4D-02 9s2 0.0000308 0.0923209 273.4640059** 2.14D-01 ED = -0.089565; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 7.5D-01 9d2 0.0000308 -0.1351630 0.5028104** 2.93D-01 ED = -0.047493; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.5D-01 9p3 0.0000308 -0.1493768 7.6142561** 6.33D-01 ED = -0.086381; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0120354 0.3799594** 2.47D-01 < 2s|9s1>=-1.1D-05 < 1s|9s1>=-7.9D-06 < 2s|9s2>=-8.4D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.2D-08 1 0.024403 2 -0.518485 3 0.323474 4 -0.020771 5 0.003370 6 -0.077645 7 0.009351 8 0.579977 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 8.99D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 4.09159E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 6.43052E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.09133E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.92941E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.25824E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.33972E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.16325E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.75377E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3220822 0.4797763 0.9459540 c 1.62D-01 9p1 23.3310568 -0.7853739 1.0143733** 9.66D-02 ED = -0.255985; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.9D-01 < 1s|9s1>= 8.5D-02 9s1 0.0000308 -0.0692142 35.3451542** 3.58D-01 ED = -0.205054; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1119364 1.0426356** 1.64D-01 ED = -0.054916; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 9.0D-01 9p2 0.0000308 0.1278475 55.4783453** 3.89D-01 ED = -0.367969; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.9D-01 <3sh|9s2>= 5.0D-01 < 1s|9s2>= 1.2D-01 9s2 0.0000308 0.0715225 222.9331146** 2.18D-01 <3dh|9d2>=-7.4D-01 9d2 0.1513680 -0.1697627 1.4718899** 2.65D-01 <2ph|9p3>=-8.2D-01 9p3 1.0242635 0.0287498 3.5594813** 5.08D-01 ED = -0.107942; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0088231 0.1717174** 3.01D-01 < 2s|9s1>= 5.8D-07 < 1s|9s1>= 4.3D-07 < 2s|9s2>=-1.1D-06 <3sh|9s2>=-2.3D-07 < 1s|9s2>=-8.5D-07 1 0.023898 2 0.019202 3 2.506109 4 -0.187613 5 -0.009864 6 0.066693 7 0.000270 8 0.003682 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.86D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-8.15588E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.30398E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 9.66574E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 7.44406E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.98671E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.51165E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.93556E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.60036E+01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.5717260 0.4771534 0.9945331 c 4.37D-01 9p1 21.4579291 -0.6929115 1.0431468** 1.17D-01 ED = -0.371173; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 8.6D-02 < 1s|9s1>=-7.0D-02 9s1 0.0000308 -0.0525492 247.0371719** 1.96D-01 ED = -0.253698; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2353103 0.0537082** 4.01D-01 ED = -0.104248; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 7.3D-01 9p2 0.0000308 0.2702015 3.2600560** 6.78D-01 < 2s|9s2>=-2.7D-01 <3sh|9s2>=-8.5D-01 < 1s|9s2>= 1.8D-01 9s2 0.0168795 -0.3666477 167.4414741** 2.87D-01 <3dh|9d2>= 7.4D-02 9d2 0.3553937 -0.1789144 1.3014758** 5.79D-01 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.6D-01 9p3 0.0000308 -0.1853521************** 7.68D-01 ED = -13.246489; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0047820 116.7030609** 6.57D-01 < 2s|9s1>= 1.5D-07 < 1s|9s1>= 1.1D-07 < 2s|9s2>= 1.4D-06 <3sh|9s2>= 2.8D-07 < 1s|9s2>= 1.0D-06 1 0.043439 2 -0.006534 3 0.181940 4 -0.067244 5 -0.160397 6 -0.058062 7 0.031044 8 0.011287 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 1.01D+00 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 1.73127E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.16319E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.01165E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.72266E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.43929E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.96103E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.76082E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.77422E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2847529 0.5320348 1.1150183 c 1.01D+00 9p1 11.9037869 -0.6061554 1.0546909** 1.64D-01 < 2s|9s1>=-5.3D-01 < 1s|9s1>=-8.1D-01 9s1 0.1267850 -2.4375810 52.0127361** 8.00D-01 ED = -0.144909; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2261687 1.0209459** 4.14D-01 ED = -0.142887; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 2.3D-02 9p2 0.0000308 -0.0876991 6.4774842** 4.09D-01 ED = -0.114209; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 9.3D-03 <3sh|9s2>= 2.9D-01 < 1s|9s2>=-1.9D-02 9s2 0.0000308 0.0384770 49.6128592** 3.29D-01 <3dh|9d2>=-6.7D-01 9d2 0.0668941 -0.2206063 1.6378909** 6.24D-01 <2ph|9p3>=-9.9D-01 9p3 0.0294648 -0.1898829 181.6104106** 5.19D-01 ED = -1.374492; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0228315 3.5330945** 9.66D-01 < 2s|9s1>=-6.1D-07 < 1s|9s1>=-4.5D-07 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.008124 2 -0.165277 3 0.221360 4 0.134972 5 0.017427 6 -0.080074 7 0.124310 8 0.027194 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.01D+00 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) = 1.01414E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.21327E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.19333E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.68768E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.43836E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.16017E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.77937E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.69364E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2845188 0.5020833 0.9437038 c 8.23D-04 9p1 71.8466187 -0.8601693 1.0029032** 4.68D-02 ED = -0.266190; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.3D-01 < 1s|9s1>= 6.7D-02 9s1 0.0000308 -0.0443539 33.6924396** 5.26D-01 ED = -0.244936; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2139564 0.8075087** 1.11D-01 ED = -0.125473; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 4.3D-02 9p2 0.0000308 0.0583623 6.6694712** 4.72D-01 ED = -0.073313; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-8.5D-03 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 4.9D-03 9s2 0.0000308 -0.0626551 903.2960351** 1.90D-01 ED = -0.098200; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-6.6D-01 9d2 0.0000308 -0.0533952 5.0360587** 5.29D-01 ED = -0.008083; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-5.6D-01 9p3 0.0000308 -0.0285008 3.2002819** 3.48D-01 9f1 0.0962696 -0.0379278 0.8065521** 2.99D-01 < 2s|9s1>= 3.9D-07 < 1s|9s1>= 2.9D-07 < 2s|9s2>= 1.1D-07 <3sh|9s2>= 2.3D-08 < 1s|9s2>= 8.5D-08 1 0.029813 2 0.004562 3 0.256915 4 0.030188 5 -0.016502 6 0.342100 7 -0.045646 8 0.026993 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 8.70D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-3.06711E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-7.75760E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.26951E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.47822E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.76115E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.19087E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.13379E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.13286E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2626190 0.5101966 1.0161594 c 8.34D-02 9p1 18.8346679 -0.6704229 1.0010805** 3.25D-02 ED = -0.200641; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-4.7D-01 < 1s|9s1>= 2.8D-01 9s1 0.0000308 0.1211363 130.3003393** 3.18D-01 ED = -0.235785; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2455843 0.6714669** 1.18D-01 ED = -0.108142; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-3.7D-03 9p2 0.0000308 -0.0095577 63.3740612** 2.85D-01 ED = -0.110505; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.1D-01 <3sh|9s2>= 1.1D-01 < 1s|9s2>= 3.8D-02 9s2 0.0000308 -0.1711591 75.8872099** 1.80D-01 ED = -0.107192; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 1.2D-01 9d2 0.0000308 0.2407734 0.2343012** 7.34D-01 ED = -0.074515; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.3D-01 9p3 0.0000308 -0.2232132 6.7739850** 5.07D-01 ED = -0.168814; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0048325 5.1014927** 4.06D-01 < 2s|9s1>=-3.9D-06 < 1s|9s1>=-2.9D-06 < 2s|9s2>=-4.0D-08 <3sh|9s2>=-8.1D-09 < 1s|9s2>=-3.0D-08 1 0.008018 2 -0.310720 3 0.205106 4 -0.129473 5 0.009983 6 0.106729 7 -1.268213 8 -0.375027 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 2.51D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) = 3.63826E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.19051E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.77811E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.65382E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.53734E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.14566E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.08063E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.29781E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2545137 0.5226664 1.0244412 c 3.18D-02 9p1 71.8821143 -0.8041463 1.0045181** 4.45D-02 ED = -0.250227; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.7D-01 < 1s|9s1>=-7.3D-02 9s1 0.0000308 0.0478304 73.2642490** 2.23D-01 ED = -0.298237; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0934595 2.0906696** 3.99D-01 ED = -0.109465; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-3.2D-02 9p2 0.0000308 0.0412385 46.0135563** 2.70D-01 ED = -0.069017; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 5.9D-02 <3sh|9s2>= 3.6D-01 < 1s|9s2>=-2.7D-02 9s2 0.0000308 0.1383443 524.1929035** 9.97D-02 ED = -0.034618; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-5.2D-01 9d2 0.0000308 0.0342028 5.8882331** 5.17D-01 ED = -0.101709; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 5.4D-01 9p3 0.0000308 0.0054913 0.4907839** 4.75D-01 9f1 0.0046478 0.0020965 1.5321609** 2.22D-01 < 2s|9s1>=-7.4D-07 < 1s|9s1>=-5.5D-07 < 2s|9s2>=-1.3D-07 <3sh|9s2>=-2.5D-08 < 1s|9s2>=-9.4D-08 1 0.030472 2 0.026452 3 -1.128052 4 -0.231359 5 0.031200 6 -0.496163 7 -0.149189 8 0.546579 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 6.02D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-4.83938E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.65140E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.40802E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.18172E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.28389E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-7.80650E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.73686E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.10009E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0572439 0.5114875 0.9786117 c 3.45D+00 9p1 18.9156843 -0.6424515 1.0142370** 9.53D-02 ED = -0.320889; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 0.0266145 181.1441437** 1.87D-01 ED = -0.254777; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0903153 0.4774181** 5.22D-01 ED = -0.090244; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.3D-01 9p2 0.0000308 -0.0585566 14.7632880** 3.48D-01 ED = -0.029077; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.0D-03 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 2.5D-03 9s2 0.0000308 -0.0605708 763.5874615** 2.07D-01 ED = -0.057311; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 5.9D-01 9d2 0.0000308 -0.0609428 0.4841921** 2.75D-01 ED = -0.145680; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.3D-01 9p3 0.0000308 -0.1702926 32.6590483** 3.91D-01 ED = -0.042156; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0002765 0.7809066** 1.04D-01 < 2s|9s1>=-2.4D-06 < 1s|9s1>=-1.8D-06 < 2s|9s2>= 9.6D-08 <3sh|9s2>= 1.9D-08 < 1s|9s2>= 7.1D-08 1 -0.035250 2 -0.145869 3 -3.781043 4 -1.964822 5 0.145755 6 -1.395969 7 -3.694366 8 -7.264606 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.45D+00 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) = 2.64047E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.02932E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.85694E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 6.59919E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.81125E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.84418E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.86278E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.32539E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.5229699 0.4318220 0.8442475 c 8.91D-01 ED = -14.625519; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0275800 433.9986422** 5.77D-01 ED = -0.173342; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.5D-01 < 1s|9s1>=-5.6D-02 9s1 0.0000308 0.0674204 386.4044179** 1.82D-01 ED = -0.261106; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0014851 1.4968549** 4.37D-01 ED = -0.097874; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 6.7D-02 9p2 0.0000308 0.0628457 15.3410162** 3.75D-01 ED = -0.052289; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.0D-02 <3sh|9s2>= 2.9D-01 < 1s|9s2>=-1.2D-02 9s2 0.0000308 0.07615131275.1821594** 1.89D-01 ED = -0.068020; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.1D-01 9d2 0.0000308 0.0002236 4.1209296** 2.00D-01 ED = -0.081882; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.1D-01 9p3 0.0000308 0.1616083 12.4153529** 3.91D-01 ED = -0.046109; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0005927 0.3820093** 6.26D-02 < 2s|9s1>=-4.6D-07 < 1s|9s1>=-3.4D-07 < 2s|9s2>=-1.1D-07 <3sh|9s2>=-2.2D-08 < 1s|9s2>=-8.2D-08 1 0.079092 2 -0.004649 3 0.073263 4 0.111548 5 -0.001663 6 0.003853 7 0.134731 8 -0.250136 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 1.65D+00 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 2.64059E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.32402E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.17269E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.88638E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.06107E+01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.50481E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.34966E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.61802E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1929912 0.5024875 1.1636448 c 1.71D+00 ED = -0.305389; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0431066 35.2768299** 3.02D-01 < 2s|9s1>= 2.9D-01 < 1s|9s1>= 9.5D-01 9s1 0.8009252 1.7163089 147.8623300** 6.96D-01 ED = -0.162840; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1531310 3.6770271** 4.26D-01 ED = -0.077766; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.6D-01 9p2 0.0000308 -0.0804869 9.7000641** 3.80D-01 < 2s|9s2>=-4.3D-01 <3sh|9s2>=-2.8D-02 < 1s|9s2>=-9.0D-01 9s2 0.7164016 -2.0623416 785.9184930** 7.34D-01 ED = -0.404136; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-3.5D-01 9d2 0.0000308 0.1009923 60.7210255** 2.79D-01 ED = -0.085995; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.1D-01 9p3 0.0000308 -0.1376981 11.0730053** 3.91D-01 ED = -0.043291; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0129436 0.3609859** 2.29D-01 < 2s|9s1>=-3.4D-06 < 1s|9s1>=-2.5D-06 < 2s|9s2>= 5.2D-06 <3sh|9s2>= 1.0D-06 < 1s|9s2>= 3.9D-06 1 -0.045992 2 -0.120577 3 0.418122 4 -0.073039 5 0.021990 6 0.349295 7 -0.038617 8 -0.113228 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.71D+00 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) = 1.35868E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.80345E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.80729E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-3.71686E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.11101E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-8.37526E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.04239E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.47172E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3019801 0.4943215 0.9837489 c 3.61D-01 ED = -3.851880; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0337193 90.3383195** 4.96D-01 ED = -0.290476; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.6D-01 < 1s|9s1>= 7.7D-02 9s1 0.0000308 -0.0575639 58.5289092** 5.36D-01 ED = -0.247689; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2163857 0.3950412** 1.42D-01 ED = -0.113900; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.1D-01 9p2 0.0000308 0.0472996 25.9956804** 2.88D-01 < 2s|9s2>=-8.6D-01 <3sh|9s2>= 2.5D-01 < 1s|9s2>= 3.6D-01 9s2 0.0647763 -0.5599413 37.2429522** 7.36D-01 ED = -0.112141; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 7.1D-01 9d2 0.0000308 0.1369795 0.3446763** 2.31D-01 ED = -0.192150; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.6D-01 9p3 0.0000308 -0.2377640 13.7222280** 6.01D-01 ED = -0.097439; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0025339 1.7766968** 1.98D-01 < 2s|9s1>= 5.1D-07 < 1s|9s1>= 3.8D-07 < 2s|9s2>= 7.8D-06 <3sh|9s2>= 1.6D-06 < 1s|9s2>= 5.8D-06 1 0.046675 2 0.005292 3 0.234992 4 -0.005626 5 0.060993 6 0.158242 7 0.125825 8 0.036137 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.61D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-2.64204E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.36876E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.20429E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.26316E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.01804E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.86348E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.05977E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.93990E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2582230 0.5072570 1.0261682 c 1.69D-01 ED = -2.802080; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0231021 101.7640106** 4.70D-01 ED = -0.086880; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 3.7D-02 < 1s|9s1>= 2.1D-02 9s1 0.0000308 0.1343110 276.6953154** 2.05D-01 ED = -0.227961; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2418604 0.6833885** 1.23D-01 ED = -0.067536; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 4.1D-02 9p2 0.0000308 0.0157072 67.1529996** 2.61D-01 ED = -0.109981; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.2D-01 <3sh|9s2>=-1.7D-02 < 1s|9s2>= 1.2D-01 9s2 0.0000308 -0.0097541 10.6987942** 4.97D-01 ED = -0.109298; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-2.3D-01 9d2 0.0000308 0.1731899 0.7254280** 2.58D-01 ED = -0.098201; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.4D-01 9p3 0.0000308 0.2088232 5.1314480** 5.36D-01 9f1 0.0114871 -0.0091121 2.3295431** 2.01D-01 < 2s|9s1>= 2.6D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>= 6.8D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.0D-06 1 -0.014519 2 -0.039949 3 0.197971 4 0.064205 5 -0.045358 6 0.180482 7 -0.240148 8 0.372129 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.69D-01 *** CALCULATIONS FOR k^2 = 0.9800 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.012191 2 -0.043394 3 0.197735 4 0.058681 5 -0.056931 6 0.156916 7 -0.247022 8 0.122619 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 3.27613E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 8.18921E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.81521E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.35272E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.86761E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.37107E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.50165E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.30822E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 110points in CSOLVE. End of range: 16.651494963610 au. kpc 0.2501652 0.4999352 0.9855659 c 3.22D-02 ED = -10.610658; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0159696 489.5096751** 4.61D-01 ED = -0.232993; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-6.0D-02 < 1s|9s1>= 2.0D-02 9s1 0.0000308 -0.0452517 88.4684306** 1.95D-01 ED = -0.214902; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1586494 1.2236014** 2.06D-01 ED = -0.094966; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.0D-02 9p2 0.0000308 0.0712817 10.7390835** 3.44D-01 ED = -0.092955; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.9D-03 <3sh|9s2>= 3.2D-01 < 1s|9s2>=-3.6D-03 9s2 0.0000308 0.0476464 91.7854394** 1.33D-01 ED = -0.066130; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 8.0D-01 9d2 0.0000308 0.1313253 1.1292804** 2.79D-01 ED = -0.075118; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-7.8D-01 9p3 0.0000308 -0.2088717 1.5241575** 3.61D-01 ED = -0.021688; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0103333 0.7738915** 1.26D-01 < 2s|9s1>= 7.9D-08 < 1s|9s1>= 5.9D-08 < 2s|9s2>=-2.0D-07 <3sh|9s2>=-4.0D-08 < 1s|9s2>=-1.5D-07 1 -0.002864 2 0.017111 3 0.411230 4 -0.130685 5 0.012982 6 0.107476 7 0.174570 8 0.060910 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 8.93D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-8.26356E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.09660E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.37664E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.70800E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.72845E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.48726E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.98593E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.06930E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2692544 0.5021854 1.0045011 c 7.09D-02 9p1 40.6032524 0.7451349 5.0819493** 4.56D-01 ED = -0.248314; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-9.9D-02 < 1s|9s1>= 4.8D-02 9s1 0.0000308 0.0077340 99.8473929** 1.70D-01 ED = -0.227542; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1765969 0.5348469** 4.88D-02 ED = -0.087733; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-7.4D-02 9p2 0.0000308 -0.0471199 7.1099877** 4.04D-01 ED = -0.032213; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-5.0D-03 <3sh|9s2>=-3.1D-01 < 1s|9s2>= 4.2D-03 9s2 0.0000308 -0.0644068 933.3361616** 2.03D-01 ED = -0.135576; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 6.5D-01 9d2 0.0000308 0.0757540 2.3467950** 3.38D-01 ED = -0.066244; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 3.6D-01 9p3 0.0000308 0.4005127 0.3994582** 5.83D-01 ED = -0.061910; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0198752 0.5271260** 3.80D-01 < 2s|9s1>=-2.0D-06 < 1s|9s1>=-1.5D-06 < 2s|9s2>= 1.2D-07 <3sh|9s2>= 2.4D-08 < 1s|9s2>= 8.8D-08 1 -0.015293 2 -0.037536 3 0.267652 4 0.187823 5 0.030464 6 1.388899 7 0.103123 8 -0.006409 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.02D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) = 3.79003E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 9.22277E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.87959E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.37809E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.14639E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.15834E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.90771E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.10431E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3089740 0.5035274 1.0026723 c 1.29D-01 9p1 38.4197887 0.7387488 1.0006943** 1.72D-02 ED = -0.229148; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-8.5D-02 9s1 0.0000308 0.0652510 34.7315735** 1.82D-01 ED = -0.236482; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1654487 0.6959160** 1.13D-01 ED = -0.091769; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.3D-02 9p2 0.0000308 0.0092379 37.6181391** 2.60D-01 ED = -0.077725; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-7.8D-03 <3sh|9s2>=-4.0D-01 < 1s|9s2>= 4.3D-03 9s2 0.0000308 -0.0936607 147.9104750** 1.29D-01 ED = -0.088427; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-3.1D-01 9d2 0.0000308 0.0726071 0.1953888** 2.04D-01 ED = -0.139612; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-8.2D-01 9p3 0.0000308 -0.1438635 7.7030922** 6.68D-01 ED = -3.258708; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0010135 140.0332253** 3.36D-01 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.4D-07 < 2s|9s2>= 1.4D-07 <3sh|9s2>= 2.8D-08 < 1s|9s2>= 1.0D-07 1 -0.013526 2 0.064448 3 0.432554 4 -0.002812 5 -0.028436 6 -1.344127 7 -0.028656 8 -0.019911 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 2.83D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-2.00822E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.88260E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.42276E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.56603E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.06295E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.04403E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.51942E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.28192E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2262002 0.5109511 1.0147434 c 3.66D-01 9p1 43.6977933 0.7615867 1.0045771** 4.98D-02 ED = -0.250831; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.0D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 0.0206781 64.3749839** 1.37D-01 ED = -0.214701; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2095530 0.5659593** 3.40D-01 ED = -0.039793; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-4.8D-02 9p2 0.0000308 -0.01761881589.1357989** 1.17D-01 ED = -0.075716; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.9D-02 <3sh|9s2>= 2.1D-01 < 1s|9s2>= 7.0D-03 9s2 0.0000308 -0.0101697 161.3781933** 1.82D-01 ED = -0.086242; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 8.8D-01 9d2 0.0000308 -0.0461081 0.2402907** 2.83D-01 ED = -0.033360; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.6D-01 9p3 0.0000308 -0.1693359 103.2994251** 3.96D-01 9f1 0.1857928 0.0028315 6.0162745** 2.49D-01 < 2s|9s1>=-2.6D-06 < 1s|9s1>=-2.0D-06 < 2s|9s2>= 1.6D-07 <3sh|9s2>= 3.3D-08 < 1s|9s2>= 1.2D-07 1 -0.021593 2 0.017907 3 0.215536 4 0.049674 5 0.043509 6 -0.353867 7 0.803728 8 -0.325373 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 3.80D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-8.36825E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.10546E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.61230E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.25343E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.60856E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.53641E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.93428E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.04001E-04 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2671076 0.4912947 0.9615297 c 1.53D-01 9p1 27.1864053 0.6739066 1.0061697** 5.84D-02 ED = -0.338226; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.1D-01 < 1s|9s1>=-5.6D-02 9s1 0.0000308 0.0092697 491.9489177** 1.92D-01 ED = -0.293926; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0887978 1.8080227** 4.48D-01 ED = -0.092060; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 5.8D-02 9p2 0.0000308 0.0828887 50.0806917** 2.75D-01 ED = -0.088040; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.6D-03 <3sh|9s2>=-2.4D-01 < 1s|9s2>=-9.4D-04 9s2 0.0000308 -0.0333018 255.2090105** 1.80D-01 ED = -0.078827; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-6.0D-01 9d2 0.0000308 -0.0500564 1.3435580** 4.15D-01 ED = -0.071423; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.3D-01 9p3 0.0000308 -0.1651060 1.3737879** 5.78D-01 ED = -0.104219; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0086538 0.3883980** 3.53D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>= 1.5D-07 <3sh|9s2>= 3.0D-08 < 1s|9s2>= 1.1D-07 1 -0.175835 2 -0.031410 3 -5.868811 4 -0.205648 5 -0.133225 6 2.265143 7 -0.176283 8 0.361216 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 4.64D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 5.84984E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.50965E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.01384E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.78124E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62524E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.77121E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.51601E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.87911E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.3468671 0.3901387 0.7941032 c 1.77D+00 9p1 2.5942369 0.2001979 1.2411333** 2.60D-01 ED = -0.123859; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-7.0D-02 < 1s|9s1>= 1.0D-02 9s1 0.0000308 -0.0918733 300.8374697** 1.89D-01 ED = -0.228756; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1487717 0.0617675** 7.07D-01 <2ph|9p2>= 9.1D-01 9p2 0.2700689 0.2502832 2.7300831** 3.94D-01 ED = -0.002252; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.6D-02 <3sh|9s2>= 3.0D-01 < 1s|9s2>= 1.2D-02 9s2 0.0000308 0.0657359 340.4410944** 1.89D-01 ED = -0.025771; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 5.7D-02 9d2 0.0000308 -0.0786188 0.5252804** 3.86D-01 <2ph|9p3>= 1.0D+00 9p3 0.0308402 0.1978624 240.9006550** 4.42D-01 9f1 0.0488644 0.0164533 1.4459064** 2.59D-01 < 2s|9s1>= 3.4D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-5.5D-08 <3sh|9s2>=-1.1D-08 < 1s|9s2>=-4.1D-08 1 0.088039 2 0.008714 3 -0.324162 4 0.363402 5 -0.006612 6 -0.161342 7 0.252441 8 -0.105994 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 4.15D+00 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-1.58901E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.67348E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.08027E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.80081E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.84906E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.31770E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.48918E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.23592E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1835285 0.4905752 1.2574380 c 2.89D+00 ED = -6.760704; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0231612 59.9982857** 5.48D-01 ED = -0.399751; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 9.2D-02 9s1 0.0000308 -0.1057539 967.5940215** 1.21D-01 ED = -0.301176; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2423535 0.4879504** 2.52D-01 ED = -0.118625; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.2D-03 9p2 0.0000308 -0.0475049 5.5032299** 4.26D-01 < 2s|9s2>=-6.9D-02 <3sh|9s2>=-6.8D-01 < 1s|9s2>= 4.0D-02 9s2 0.0017933 -0.21872621123.8982322** 2.62D-01 ED = -0.027800; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 5.9D-01 9d2 0.0000308 -0.0181737 5.6796973** 4.53D-01 <2ph|9p3>=-8.9D-01 9p3 0.0039079 -0.1698501 2.2705908** 3.29D-01 ED = -0.306710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0110022 0.5502683** 3.98D-01 < 2s|9s1>= 7.0D-07 < 1s|9s1>= 5.2D-07 < 2s|9s2>= 2.9D-07 <3sh|9s2>= 5.9D-08 < 1s|9s2>= 2.2D-07 1 -0.019706 2 -0.017403 3 -0.218497 4 0.123063 5 -0.034687 6 0.176794 7 -0.174851 8 -0.084013 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.89D+00 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 8.04925E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.14886E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.91957E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.15210E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08065E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.62251E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.15275E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.78005E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2340438 0.5014393 1.0221456 c 2.16D-01 ED = -6.757982; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0140515 321.6309940** 4.76D-01 ED = -0.225545; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 -0.0467268 63.6638976** 1.61D-01 ED = -0.234241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1757730 1.0897207** 1.71D-01 ED = -0.087723; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 5.3D-02 9p2 0.0000308 0.0459043 16.1491581** 3.43D-01 ED = -0.070122; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 8.4D-03 <3sh|9s2>= 2.9D-01 < 1s|9s2>=-6.4D-03 9s2 0.0000308 0.0579587 301.9701268** 2.92D-01 ED = -0.072377; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 5.3D-01 9d2 0.0000308 0.1433735 0.8822514** 5.08D-01 ED = -0.060865; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.6D-01 9p3 0.0000308 -0.2198886 4.3079461** 3.85D-01 ED = -0.005091; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0081024 1.3321783** 2.40D-01 < 2s|9s1>= 1.6D-06 < 1s|9s1>= 1.2D-06 < 2s|9s2>=-1.3D-07 <3sh|9s2>=-2.7D-08 < 1s|9s2>=-9.8D-08 1 -0.000902 2 0.078263 3 -0.336949 4 -0.079442 5 0.006803 6 0.159903 7 0.283094 8 -0.068774 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.16D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-1.86034E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.69190E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.11264E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.14338E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.84201E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.88706E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.78145E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.31149E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2577982 0.4986704 0.9944781 c 9.21D-02 9p1 124.2932647 0.00089754983.8799013** 1.70D+00 ED = -0.223509; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-8.3D-02 < 1s|9s1>= 2.8D-02 9s1 0.0000308 -0.0350636 31.4650344** 1.72D-01 ED = -0.239798; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1755052 0.6439332** 9.38D-02 ED = -0.087720; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-3.5D-02 9p2 0.0000308 -0.0387988 18.4043589** 2.92D-01 ED = -0.072783; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 4.0D-03 <3sh|9s2>=-3.5D-01 < 1s|9s2>=-7.4D-04 9s2 0.0000308 -0.0573172 722.2073423** 2.00D-01 ED = -0.090261; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.7D-01 9d2 0.0000308 0.1117067 1.1367561** 1.76D-01 ED = -0.078417; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.7D-01 9p3 0.0000308 -0.1332327 1.3258761** 5.80D-01 ED = -0.102858; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0098178 1.1542611** 3.59D-01 < 2s|9s1>= 2.8D-07 < 1s|9s1>= 2.1D-07 < 2s|9s2>= 1.7D-07 <3sh|9s2>= 3.5D-08 < 1s|9s2>= 1.3D-07 1 0.000249 2 -0.028884 3 -0.224476 4 -0.056068 5 0.062954 6 0.205936 7 1.409681 8 -3.261934 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.64D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 4.91360E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.17252E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.10669E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-9.54963E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.63681E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.18539E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.40269E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-4.23662E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3116995 0.5003335 1.0033350 c 1.73D-01 ED = -49.995684; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0212366************** 1.66D+00 ED = -0.236958; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.8D-02 < 1s|9s1>=-1.2D-02 9s1 0.0000308 0.0042905 202.7637106** 1.54D-01 ED = -0.225764; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0163248 9.0445510** 4.02D-01 ED = -0.070844; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.2D-01 9p2 0.0000308 0.1122752 12.0825382** 3.85D-01 ED = -0.078857; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 8.7D-03 <3sh|9s2>= 1.8D-01 < 1s|9s2>=-4.9D-03 9s2 0.0000308 0.0440170 314.6160782** 1.83D-01 ED = -0.054174; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-4.3D-03 9d2 0.0000308 0.0054824 16.3170834** 3.03D-01 ED = -0.089646; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-3.0D-01 9p3 0.0000308 0.0202671 1.7965462** 2.78D-01 ED = -0.084489; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0023046 0.1697274** 1.75D-01 < 2s|9s1>=-2.5D-07 < 1s|9s1>=-1.9D-07 < 2s|9s2>=-6.2D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.6D-08 1 -0.011366 2 0.011197 3 0.061446 4 -0.003634 5 0.009205 6 -0.014909 7 -0.029067 8 0.023819 LEAST SELF-CONSISTENT FUNCTION IS 9f1 :WEIGHTED MAXIMUM CHANGE = 5.72D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-1.26596E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.32886E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 8.61702E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.73955E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.35719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.20239E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.23817E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.20851E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1724673 0.4994451 0.9982245 c 8.07D-01 ED = -11.191780; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0151468 512.0712416** 4.78D-01 ED = -0.245847; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-4.2D-01 < 1s|9s1>= 2.9D-01 9s1 0.0000308 0.2399403 66.9525289** 2.81D-01 ED = -0.224895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2157260 3.2152905** 6.24D-01 ED = -0.266838; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-5.2D-02 9p2 0.0000308 -0.1148232 60.8829369** 4.88D-01 ED = -0.098983; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.9D-02 <3sh|9s2>=-2.4D-01 < 1s|9s2>=-3.8D-03 9s2 0.0000308 0.0363237 258.5916369** 1.69D-01 ED = -0.083855; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 1.9D-01 9d2 0.0000308 -0.1758256 9.4801367** 5.22D-01 ED = -0.091819; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.6D-01 9p3 0.0000308 -0.0229526 6.0168004** 5.04D-01 ED = -0.170515; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0345129 1.4356767** 5.37D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-9.9D-08 <3sh|9s2>=-2.0D-08 < 1s|9s2>=-7.4D-08 <2ph|9p3>= 1.0D-10 1 0.004279 2 -0.351152 3 0.259328 4 1.169323 5 -0.104108 6 -0.221877 7 -0.040539 8 0.042913 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.07D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 2.43031E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.13390E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.09022E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 5.26512E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.47549E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.05224E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.99208E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.73137E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2191663 0.5392046 1.0796073 c 2.13D-01 ED = -28.722114; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00137131460.4586651** 4.81D-01 ED = -0.227552; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.3D-01 < 1s|9s1>=-1.0D-01 9s1 0.0000308 0.0678927 33.0348553** 2.59D-01 ED = -0.271538; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1248433 1.2553573** 2.61D-01 ED = -0.086417; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 6.1D-01 9p2 0.0000308 0.1548666 1.3314433** 6.59D-01 < 2s|9s2>= 4.1D-02 <3sh|9s2>= 8.1D-01 < 1s|9s2>=-2.2D-02 9s2 0.0048833 0.2337841 191.3866948** 2.72D-01 ED = -0.352018; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-7.0D-01 9d2 0.0000308 -0.0105554 12.6593139** 4.97D-01 <2ph|9p3>= 4.1D-01 9p3 0.6582021 -0.1294787 1.7736165** 3.76D-01 ED = -0.505434; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0030682 7.5427269** 4.88D-01 < 2s|9s1>=-9.9D-07 < 1s|9s1>=-7.4D-07 < 2s|9s2>=-4.1D-07 <3sh|9s2>=-8.3D-08 < 1s|9s2>=-3.0D-07 1 0.053062 2 0.006506 3 0.792821 4 -0.066465 5 0.082696 6 0.077480 7 -0.280921 8 -0.114005 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 7.71D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-2.34425E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.72302E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.53335E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.01822E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.35903E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.62348E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.87724E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.11859E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3062791 0.4987628 0.9249972 c 2.84D-01 9p1 1.9576879 -0.3065031 3.8914661** 4.76D-01 < 2s|9s1>=-7.4D-01 < 1s|9s1>=-1.9D-01 9s1 0.0447966 -0.9282429 34.7339513** 4.41D-01 ED = -0.239009; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2364173 0.2024141** 2.50D-01 ED = -0.091849; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.5D-01 9p2 0.0000308 -0.0907026 6.4032258** 4.92D-01 ED = -0.060736; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.4D-02 <3sh|9s2>=-3.0D-01 < 1s|9s2>=-1.4D-02 9s2 0.0000308 -0.0471750 120.1558499** 3.20D-01 ED = -0.099480; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.4D-01 9d2 0.0000308 0.0233490 3.8368134** 4.09D-01 ED = -0.091982; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.6D-01 9p3 0.0000308 0.1790921 12.4606929** 6.37D-01 9f1 0.0038900 -0.0017069 1.0700252** 2.60D-01 < 2s|9s1>= 2.7D-06 < 1s|9s1>= 2.0D-06 < 2s|9s2>= 8.5D-08 <3sh|9s2>= 1.7D-08 < 1s|9s2>= 6.3D-08 1 0.001975 2 0.238747 3 0.195216 4 -0.018181 5 -0.004444 6 -0.004620 7 0.061645 8 0.010523 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.84D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-6.85437E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.46368E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.13890E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.69644E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.89501E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.22577E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.37713E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.58673E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2736550 0.4951642 0.9927850 c 1.19D-01 9p1 301.3249793 -0.9496993 1.0157460** 1.39D-01 ED = -0.219679; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.8D-01 < 1s|9s1>=-7.1D-02 9s1 0.0000308 0.1002098 25.3736926** 4.38D-01 ED = -0.137829; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2304826 0.9156963** 1.73D-01 <2ph|9p2>=-4.9D-01 9p2 0.0145869 -0.0924819 5.3293082** 4.59D-01 ED = -0.195046; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-6.4D-02 <3sh|9s2>=-4.2D-01 < 1s|9s2>= 1.3D-02 9s2 0.0000308 -0.3017298 189.8596893** 1.23D-01 <3dh|9d2>= 1.7D-01 9d2 0.1017062 -0.2581352 16.2578199** 6.10D-01 ED = -0.052169; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.4D-01 9p3 0.0000308 0.2145763 12.9998677** 5.14D-01 9f1 0.1980085 -0.0346008 2.2580093** 5.83D-01 < 2s|9s1>=-3.3D-07 < 1s|9s1>=-2.5D-07 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.8D-08 1 0.034535 2 -0.005162 3 0.205936 4 -0.117170 5 0.012596 6 -0.087884 7 -0.110410 8 0.029944 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.19D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) = 2.83547E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 7.00188E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 6.32976E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.15893E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.12113E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.53449E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.38329E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.52807E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2771236 0.4993467 1.0084467 c 1.25D-02 9p1 16.7314896 -0.6158061 1.0013248** 5.55D-02 ED = -0.305944; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-1.0D-01 9s1 0.0000308 -0.0033674 160.9380801** 2.13D-01 ED = -0.228484; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2160746 0.8624951** 8.69D-02 ED = -0.088447; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.6D-03 9p2 0.0000308 -0.0570737 3.0050002** 3.92D-01 ED = -0.099979; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-3.9D-03 <3sh|9s2>=-2.7D-01 < 1s|9s2>= 4.0D-03 9s2 0.0000308 -0.0490807 734.4985515** 1.01D-01 ED = -0.071174; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-5.9D-01 9d2 0.0000308 -0.0840191 2.8915625** 4.23D-01 ED = -0.067768; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 7.4D-01 9p3 0.0000308 0.0270107 2.5307859** 4.60D-01 ED = -0.163139; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0180314 1.6300872** 3.56D-01 < 2s|9s1>= 2.4D-05 < 1s|9s1>= 1.8D-05 < 2s|9s2>= 1.3D-07 <3sh|9s2>= 2.5D-08 < 1s|9s2>= 9.3D-08 1 0.018313 2 0.089433 3 0.228726 4 -0.240837 5 0.005055 6 -0.591936 7 0.849371 8 -0.001918 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 5.07D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-1.71416E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.04667E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.39530E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.18020E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.25482E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.93194E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.65628E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.72287E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2650868 0.5047411 1.0108029 c 4.54D-02 9p1 32.0381984 -0.7213345 1.0050279** 4.11D-02 ED = -0.234458; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.6D-01 < 1s|9s1>= 7.3D-02 9s1 0.0000308 -0.0363081 111.0542168** 1.56D-01 ED = -0.224908; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2026477 0.8258407** 2.43D-01 ED = -0.088685; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 6.3D-02 9p2 0.0000308 0.0812786 8.4188148** 4.35D-01 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 9.4D-01 < 1s|9s2>= 1.4D-01 9s2 0.2038685 0.3833683 56.4264049** 2.86D-01 ED = -0.093602; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 6.5D-01 9d2 0.0000308 -0.0204313 1.6079088** 3.35D-01 ED = -0.065016; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.8D-01 9p3 0.0000308 -0.1817796 1.0655989** 4.88D-01 ED = -7.338472; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0040255 117.3845133** 4.73D-01 < 2s|9s1>= 1.0D-06 < 1s|9s1>= 7.5D-07 < 2s|9s2>=-5.3D-06 <3sh|9s2>=-1.1D-06 < 1s|9s2>=-4.0D-06 1 0.021102 2 -0.013541 3 0.270643 4 -0.085180 5 0.061900 6 0.183077 7 -0.111427 8 0.111435 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 4.15D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) = 1.04901E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.75288E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.85857E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.43163E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.74629E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.14571E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.28974E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.09872E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2614409 0.5009360 0.9924613 c 1.39D-02 9p1 27.8129095 -0.7026485 1.0018054** 2.52D-02 ED = -0.208569; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 3.7D-01 < 1s|9s1>=-1.7D-01 9s1 0.0000308 0.0401593 87.1283346** 2.04D-01 ED = -0.232607; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2160872 0.7101911** 2.67D-01 ED = -0.074042; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-7.3D-02 9p2 0.0000308 -0.0446557 10.8475638** 3.81D-01 ED = -0.111687; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.6D-02 <3sh|9s2>=-2.7D-01 < 1s|9s2>= 8.9D-03 9s2 0.0000308 -0.0579504 170.9465085** 4.89D-01 ED = -0.075393; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 3.2D-01 9d2 0.0000308 0.0737025 1.4773332** 3.19D-01 ED = -0.098372; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.5D-01 9p3 0.0000308 -0.1934496 16.0250481** 4.48D-01 ED = -0.035980; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0053233 1.1920192** 1.52D-01 < 2s|9s1>=-5.8D-06 < 1s|9s1>=-4.3D-06 < 2s|9s2>= 1.4D-07 <3sh|9s2>= 2.8D-08 < 1s|9s2>= 1.0D-07 1 0.021113 2 0.096323 3 0.280477 4 -0.058844 5 -0.036136 6 -1.020934 7 0.021621 8 -0.103378 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 7.23D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-1.46726E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.92067E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 8.55713E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.05867E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.02904E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.64675E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.37592E-04 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.54782E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2269177 0.5015565 1.0012386 c 1.52D-01 9p1 27.8893684 -0.6852192 1.0009226** 2.03D-02 ED = -0.233433; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.9D-01 < 1s|9s1>= 1.4D-01 9s1 0.0000308 -0.0445279 27.2259794** 2.26D-01 ED = -0.226027; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2286333 0.7247993** 9.35D-02 ED = -0.093106; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.9D-02 9p2 0.0000308 -0.0026127 83.3637996** 2.30D-01 ED = -0.086713; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-6.3D-02 <3sh|9s2>= 1.6D-01 < 1s|9s2>= 2.4D-02 9s2 0.0000308 -0.0676871 88.0515691** 1.85D-01 ED = -0.089433; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-7.1D-03 9d2 0.0000308 -0.0875116 0.2163507** 3.96D-01 ED = -0.150614; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-5.8D-01 9p3 0.0000308 -0.0404133 11.8013676** 3.84D-01 ED = -0.102450; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0008761 7.0742036** 2.07D-01 < 2s|9s1>= 2.8D-06 < 1s|9s1>= 2.1D-06 < 2s|9s2>=-1.6D-08 <3sh|9s2>=-3.2D-09 < 1s|9s2>=-1.2D-08 1 0.024959 2 -0.194552 3 0.687233 4 -0.349658 5 0.027344 6 11.855355 7 -0.177758 8 -0.214240 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 4.04D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) = 6.39086E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.72365E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.54765E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-3.08845E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.55344E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.02028E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.64633E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.94430E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0992304 0.4778822 0.9527983 c 3.29D+00 9p1 23.0346725 -0.6107199 1.0626223** 1.46D-01 ED = -0.262752; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.8D-01 < 1s|9s1>=-9.3D-02 9s1 0.0000308 0.0126029 104.8269688** 1.96D-01 ED = -0.188216; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1387249 1.3175430** 4.03D-01 ED = -0.090908; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.6D-02 9p2 0.0000308 -0.0126795 137.9061663** 1.73D-01 ED = -0.147334; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.9D-02 <3sh|9s2>=-5.6D-01 < 1s|9s2>= 9.1D-03 9s2 0.0000308 0.0104215 195.6939126** 2.59D-01 ED = -0.091333; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-9.1D-01 9d2 0.0000308 0.0251029 0.0599349** 3.18D-01 <2ph|9p3>= 9.0D-01 9p3 0.1223284 0.2734393 16.2233342** 4.98D-01 9f1 0.0963442 -0.0000334 7.8475681** 2.80D-01 < 2s|9s1>=-3.7D-06 < 1s|9s1>=-2.7D-06 < 2s|9s2>=-3.3D-06 <3sh|9s2>=-6.7D-07 < 1s|9s2>=-2.4D-06 1 0.003807 2 0.019942 3 0.370625 4 -0.028762 5 -0.067917 6 0.471189 7 -0.121995 8 0.329095 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 3.77D+00 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-8.55027E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.31940E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44466E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.12878E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.25236E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.71915E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.48854E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.29477E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2358246 0.4821233 1.0088748 c 1.42D+00 9p1 148.7356512 -0.8089192 1.0795384** 1.85D-01 < 2s|9s1>=-8.8D-01 < 1s|9s1>=-3.2D-01 9s1 0.1100195 -1.5205108 26.2682302** 5.29D-01 ED = -0.366573; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1585652 0.5921481** 5.47D-01 ED = -0.096005; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 6.5D-04 9p2 0.0000308 0.0248097 103.6650020** 1.96D-01 ED = -0.067900; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.4D-01 <3sh|9s2>= 3.1D-01 < 1s|9s2>= 9.9D-02 9s2 0.0000308 -0.0171311 35.1291401** 2.84D-01 ED = -0.088125; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 6.9D-01 9d2 0.0000308 0.0624607 0.6927321** 4.22D-01 ED = -0.272694; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.6D-01 9p3 0.0000308 0.1701040 29.2077352** 6.07D-01 ED = -0.019750; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0019518 1.2849044** 1.18D-01 < 2s|9s1>= 3.9D-06 < 1s|9s1>= 2.9D-06 < 2s|9s2>=-4.0D-09 <3sh|9s2>=-8.1D-10 < 1s|9s2>=-3.0D-09 1 0.017405 2 0.141832 3 0.316167 4 -0.134829 5 -0.021879 6 0.721362 7 0.019235 8 -0.209516 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.42D+00 *** CALCULATIONS FOR k^2 = 0.9600 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 0.018465 2 0.138444 3 0.314028 4 -0.187386 5 -0.009148 6 0.361268 7 -0.226743 8 -0.305736 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-1.10750E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.52513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 7.39477E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.31097E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.17957E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.97983E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.83692E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.03669E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 110points in CSOLVE. End of range: 16.651494963610 au. kpc 0.2978077 0.4897185 1.0157536 c 2.08D-01 9p1 32.1331628 -0.7387771 1.0034684** 4.30D-02 ED = -0.186283; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.6D-01 < 1s|9s1>=-6.3D-02 9s1 0.0000308 0.0766740 67.2759597** 5.16D-01 ED = -0.179793; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0997621 1.2328828** 2.93D-01 ED = -0.069040; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 5.4D-03 9p2 0.0000308 -0.0298481 18.3241609** 3.09D-01 ED = -0.017861; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.0D-02 <3sh|9s2>= 2.8D-01 < 1s|9s2>=-1.3D-02 9s2 0.0000308 0.06325361201.5542016** 9.31D-02 ED = -0.049806; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 6.9D-01 9d2 0.0000308 0.1536696 0.4102074** 3.20D-01 ED = -0.043145; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.7D-01 9p3 0.0000308 -0.1916190 10.3768093** 4.12D-01 ED = -0.005889; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0034986 0.8721430** 1.67D-01 < 2s|9s1>=-3.6D-07 < 1s|9s1>=-2.7D-07 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.8D-08 < 1s|9s2>=-1.0D-07 1 -0.040456 2 -0.074030 3 4.882405 4 0.371554 5 -0.015076 6 -0.226159 7 1.269388 8 -0.756272 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.08D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 2.50557E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.68157E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.62623E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 5.93363E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.41656E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.78002E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.78738E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.30482E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.7223872 0.4240273 0.8658592 c 5.88D-01 ED = -13.049152; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0553307 82.4875567** 6.49D-01 ED = -0.266463; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.2D-01 < 1s|9s1>= 7.5D-02 9s1 0.0000308 0.0173747 268.6117695** 1.91D-01 ED = -0.215035; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0285717 0.1670300** 2.54D-01 ED = -0.084166; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.1D-02 9p2 0.0000308 0.0331192 16.5225777** 3.48D-01 < 2s|9s2>= 8.7D-01 <3sh|9s2>= 1.2D-01 < 1s|9s2>=-3.9D-01 9s2 0.0466444 0.6921041 213.6314498** 4.53D-01 ED = -0.791904; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.4D-01 9d2 0.0000308 -0.0158513 6.9239502** 6.54D-01 ED = -0.031460; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.2D-01 9p3 0.0000308 -0.1696599 3.4028073** 4.89D-01 ED = -0.026578; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0005903 1.6703577** 1.61D-01 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.2D-07 < 2s|9s2>=-5.4D-06 <3sh|9s2>=-1.1D-06 < 1s|9s2>=-4.0D-06 1 0.122868 2 0.024247 3 -0.177049 4 -0.020065 5 -0.043898 6 0.065296 7 0.099099 8 -0.094012 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 1.24D+00 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-4.96823E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-7.33686E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.15029E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.31321E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.05534E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.89580E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.75188E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.90133E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1940585 0.4744411 1.1188929 c 2.72D+00 ED = -1.386077; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0130955 56.2765665** 4.73D-01 < 2s|9s1>= 8.5D-01 < 1s|9s1>= 2.2D-01 9s1 0.0429632 1.6546024 29.8665924** 5.26D-01 ED = -0.175407; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2123613 1.0728082** 5.95D-01 ED = -0.203491; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 4.3D-01 9p2 0.0000308 0.0206512 32.8939868** 4.16D-01 < 2s|9s2>=-9.8D-01 <3sh|9s2>= 4.5D-02 < 1s|9s2>= 1.6D-01 9s2 0.1654697 -1.3371706 11.4921351** 6.45D-01 ED = -0.116596; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 8.6D-01 9d2 0.0000308 0.1010107 3.4024315** 3.85D-01 ED = -0.013159; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 7.4D-01 9p3 0.0000308 0.4327305 0.9578798** 5.26D-01 ED = -0.030208; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0256631 0.3701690** 4.41D-01 < 2s|9s1>=-7.9D-07 < 1s|9s1>=-5.9D-07 < 2s|9s2>= 6.7D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.0D-06 1 -0.014491 2 -0.084368 3 -0.214222 4 0.073142 5 0.047086 6 0.116076 7 0.073657 8 -0.038407 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.72D+00 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 1.71623E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.19374E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.39992E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.75310E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.90397E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.97487E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.55543E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.19083E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2531077 0.4860147 1.0243941 c 2.33D-01 ED = -7.980225; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0150041 455.5591434** 4.60D-01 ED = -0.225076; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.7D-03 < 1s|9s1>=-1.9D-02 9s1 0.0000308 -0.0957892 16.3257089** 3.38D-01 ED = -0.190830; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2174849 0.8247097** 4.13D-02 ED = -0.076363; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-4.3D-01 9p2 0.0000308 -0.0514162 6.5738360** 3.79D-01 ED = -0.089526; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.1D-02 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 1.2D-02 9s2 0.0000308 -0.0607893 154.1362410** 6.22D-01 ED = -0.049531; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 7.3D-01 9d2 0.0000308 0.0959140 1.8877217** 3.14D-01 ED = -0.080379; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 4.1D-01 9p3 0.0000308 0.3779922 1.4362323** 3.68D-01 ED = -0.068214; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0157361 1.4023502** 1.86D-01 < 2s|9s1>=-2.1D-08 < 1s|9s1>=-1.5D-08 < 2s|9s2>= 1.6D-07 <3sh|9s2>= 3.3D-08 < 1s|9s2>= 1.2D-07 1 0.005041 2 0.044258 3 -0.220992 4 -0.161072 5 -0.015471 6 0.207612 7 0.121614 8 -0.092875 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.33D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-3.11038E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-8.25238E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.77529E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.83702E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.91824E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.25939E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44030E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.70465E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2520478 0.4931904 1.0147645 c 4.21D-03 ED = -22.710397; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01403221230.5165419** 4.66D-01 ED = -0.218146; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-4.3D-01 < 1s|9s1>= 2.3D-01 9s1 0.0000308 0.0340288 14.3611614** 3.40D-01 ED = -0.202018; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2192421 0.7951540** 2.21D-02 ED = -0.069454; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-5.0D-02 9p2 0.0000308 -0.0366285 8.2748110** 3.14D-01 ED = -0.065164; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 5.3D-03 <3sh|9s2>= 2.8D-01 < 1s|9s2>=-4.8D-03 9s2 0.0000308 0.0571150 805.5539042** 1.86D-01 ED = -0.060017; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 3.7D-01 9d2 0.0000308 0.0491283 2.0126189** 1.85D-01 ED = -0.030083; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 5.1D-01 9p3 0.0000308 0.3103449 1.3045782** 2.89D-01 ED = -0.091289; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0062164 1.4635758** 1.62D-01 < 2s|9s1>=-1.1D-05 < 1s|9s1>=-7.8D-06 < 2s|9s2>=-1.2D-07 <3sh|9s2>=-2.4D-08 < 1s|9s2>=-8.7D-08 1 -0.003308 2 -0.245106 3 -0.247359 4 0.068069 5 0.029194 6 -0.386902 7 0.295541 8 0.146709 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 5.06D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 4.93937E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.54538E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.32783E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.60718E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.72294E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.92836E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.27094E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.74994E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2235160 0.4974166 1.0085689 c 1.28D-01 ED = -35.816934; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01013521898.5116677** 4.73D-01 ED = -0.212888; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 4.7D-01 < 1s|9s1>=-2.3D-01 9s1 0.0000308 0.1135894 7.3227664** 3.47D-01 ED = -0.238098; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1482309 1.1288982** 1.87D-01 ED = -0.056819; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 3.3D-01 9p2 0.0000308 0.0872532 20.2086232** 2.70D-01 ED = -0.051409; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.3D-02 <3sh|9s2>=-3.1D-01 < 1s|9s2>=-6.2D-03 9s2 0.0000308 -0.0271622 197.8181348** 1.93D-01 ED = -0.074523; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-1.7D-02 9d2 0.0000308 -0.0742631 0.7422805** 3.00D-01 ED = -0.077310; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 2.2D-01 9p3 0.0000308 0.0798744 1.4101820** 3.45D-01 ED = -0.059467; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0029214 2.1797659** 1.63D-01 < 2s|9s1>=-3.1D-06 < 1s|9s1>=-2.3D-06 < 2s|9s2>= 2.0D-07 <3sh|9s2>= 4.1D-08 < 1s|9s2>= 1.5D-07 1 -0.225006 2 3.461263 3 -13.485776 4 0.450255 5 -2.462519 6 191.078119 7 -1.309079 8 3.907382 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.28D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) = 1.19221E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.94996E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.02708E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 6.63770E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.55286E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.24588E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.92335E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.06565E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -1.1764878 0.1032862 0.2076452 c 1.19D+00 ED = -0.239987; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0025760 658.5576197** 2.42D-01 ED = -0.214936; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.9D-01 < 1s|9s1>= 8.2D-02 9s1 0.0000308 -0.0492535 80.1627840** 2.39D-01 ED = -0.215532; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1121044 0.7469410** 4.11D-01 ED = -0.115141; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 2.1D-02 9p2 0.0000308 0.00865331384.4825466** 1.54D-01 ED = -0.066092; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-5.2D-02 <3sh|9s2>= 4.5D-01 < 1s|9s2>= 2.0D-02 9s2 0.0000308 0.0140201 57.1300168** 2.59D-01 ED = -0.070411; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 1.6D-01 9d2 0.0000308 -0.0201584 0.0331591** 2.53D-01 ED = -0.202835; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-6.1D-01 9p3 0.0000308 -0.1887434 71.8725743** 3.54D-01 ED = -0.099498; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0002374 29.4274772** 2.18D-01 < 2s|9s1>= 9.5D-07 < 1s|9s1>= 7.1D-07 < 2s|9s2>=-8.0D-07 <3sh|9s2>=-1.6D-07 < 1s|9s2>=-5.9D-07 1 -0.014149 2 -0.065502 3 -0.590248 4 0.001864 5 -0.021918 6 0.683348 7 0.381186 8 -0.235541 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 4.84D+01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 1.48203E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 6.85921E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.01625E+01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.47936E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.28331E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.12703E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.34330E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.67194E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1332511 0.4112187 3.9813532 c 9.83D+00 ED = -0.487970; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0214353 371.5534728** 2.44D-01 ED = -0.016370; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-9.9D-02 9s1 0.0000308 0.1050205 395.6397033** 2.02D-01 ED = -0.290667; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1434517 0.4608379** 4.60D-01 ED = -0.231545; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 2.2D-01 9p2 0.0000308 0.06624271508.7506733** 1.85D-01 ED = -0.152553; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-4.2D-01 <3sh|9s2>= 6.2D-01 < 1s|9s2>= 2.2D-01 9s2 0.0000308 -0.1394703 71.4767523** 3.12D-01 ED = -0.069361; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-6.2D-01 9d2 0.0000308 0.0179160 1.1214249** 4.08D-01 ED = -0.013128; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.7D-01 9p3 0.0000308 -0.1871666 9.3232370** 3.99D-01 9f1 0.0143460 0.0017169 1.1115294** 2.13D-01 < 2s|9s1>=-7.1D-07 < 1s|9s1>=-5.3D-07 < 2s|9s2>= 4.8D-07 <3sh|9s2>= 9.6D-08 < 1s|9s2>= 3.5D-07 1 0.017643 2 0.027229 3 -0.414692 4 -0.107197 5 -0.057710 6 -0.290274 7 -0.005906 8 -0.034907 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.83D+00 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-4.82204E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.33255E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.42425E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.21095E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.69077E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.45872E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52198E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.42282E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2385821 0.4833290 1.1753575 c 4.41D-01 ED = -7.688893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0136880 344.0568316** 4.78D-01 ED = -0.170983; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.0D-01 < 1s|9s1>= 1.6D-01 9s1 0.0000308 -0.0087846 72.7223586** 2.15D-01 ED = -0.210008; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2037411 0.4914298** 1.66D-01 ED = -0.063261; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-9.7D-02 9p2 0.0000308 -0.0336512 14.7935227** 3.15D-01 ED = -0.062522; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-3.5D-03 <3sh|9s2>= 2.8D-01 < 1s|9s2>= 2.0D-04 9s2 0.0000308 0.0497047 134.4078163** 1.18D-01 ED = -0.052248; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.6D-01 9d2 0.0000308 -0.1176259 0.4682491** 3.42D-01 ED = -0.150078; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.6D-01 9p3 0.0000308 -0.1932771 284.6701274** 4.62D-01 ED = -0.005575; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0024832 5.0926934** 2.29D-01 < 2s|9s1>= 1.5D-05 < 1s|9s1>= 1.1D-05 < 2s|9s2>=-1.2D-07 <3sh|9s2>=-2.4D-08 < 1s|9s2>=-8.8D-08 1 0.008034 2 -0.052156 3 -0.242080 4 0.005922 5 0.014975 6 -0.246272 7 0.036887 8 0.128437 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.41D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 2.75951E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 7.14064E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.16911E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.02105E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.29279E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.34458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.08116E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.76395E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2474295 0.4909853 1.0158408 c 3.58D-02 9p1 14.5443966 -0.5855447 4.9410039** 4.37D-01 ED = -0.189201; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 5.9D-01 < 1s|9s1>=-2.5D-01 9s1 0.0000308 0.1563189 17.5878103** 3.22D-01 ED = -0.221065; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2096183 0.7443012** 1.45D-01 ED = -0.064084; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.7D-01 9p2 0.0000308 0.0261082 115.5072660** 1.48D-01 ED = -0.066234; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 9.1D-02 <3sh|9s2>=-3.3D-01 < 1s|9s2>=-3.8D-02 9s2 0.0000308 0.0660051 97.4337271** 2.00D-01 ED = -0.070791; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-6.8D-02 9d2 0.0000308 -0.1362299 0.6027877** 1.33D-01 ED = -0.069693; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.6D-01 9p3 0.0000308 -0.1428373 17.8706336** 4.99D-01 ED = -0.048005; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0048905 1.3336824** 1.67D-01 < 2s|9s1>=-4.8D-06 < 1s|9s1>=-3.6D-06 < 2s|9s2>=-1.6D-08 <3sh|9s2>=-3.3D-09 < 1s|9s2>=-1.2D-08 1 0.007047 2 0.083359 3 -0.219830 4 0.044377 5 -0.046119 6 -0.221214 7 1.024874 8 -0.129234 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.58D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-1.45819E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.37595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.04801E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.01694E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-9.92845E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.12051E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.64226E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.58398E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2670686 0.4909404 0.9999086 c 7.35D-02 9p1 86.1299170 -0.7723313 1.0012939** 2.96D-02 ED = -0.192287; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 9.2D-02 < 1s|9s1>=-4.0D-02 9s1 0.0000308 0.0246311 116.8479478** 2.47D-01 ED = -0.222815; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1173658 1.3765384** 2.56D-01 ED = -0.067588; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 7.7D-02 9p2 0.0000308 0.0662446 86.4762683** 2.49D-01 ED = -0.065738; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-9.8D-03 <3sh|9s2>= 3.2D-01 < 1s|9s2>= 1.2D-03 9s2 0.0000308 0.0303625 101.4503629** 2.21D-01 ED = -0.054182; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-3.0D-01 9d2 0.0000308 -0.0437321 2.2581904** 2.36D-01 ED = -0.066914; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 4.0D-01 9p3 0.0000308 0.1079480 0.4389910** 4.50D-01 ED = -0.024743; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0031364 2.5087095** 3.33D-01 < 2s|9s1>=-4.6D-07 < 1s|9s1>=-3.4D-07 < 2s|9s2>=-3.0D-07 <3sh|9s2>=-6.0D-08 < 1s|9s2>=-2.2D-07 1 0.000304 2 -0.003771 3 -0.876262 4 -0.072747 5 0.032124 6 0.270936 7 -0.171677 8 -0.223906 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 4.61D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 3.52936E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 9.66182E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.82876E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.18777E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.88272E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.12771E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.60491E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45002E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3031520 0.4999586 1.0183690 c 1.19D-01 9p1 1988.3148712 0.0000000************** 3.40D+00 ED = -0.312813; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 3.7D-01 < 1s|9s1>=-1.9D-01 9s1 0.0000308 -0.0245859 183.6901678** 2.58D-01 ED = -0.206718; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1366410 0.3471272** 1.24D-01 ED = -0.050664; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.7D-01 9p2 0.0000308 -0.0513485 12.3945995** 2.63D-01 ED = -0.036869; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.0D-02 <3sh|9s2>=-3.3D-01 < 1s|9s2>=-2.7D-03 9s2 0.0000308 -0.0507929 183.4302271** 2.16D-01 ED = -0.065301; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.6D-02 9d2 0.0000308 0.1565620 0.3261405** 4.06D-01 ED = -0.072731; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.3D-01 9p3 0.0000308 -0.1725817 12.9688370** 3.40D-01 9f1 0.0092107 0.0003506 1.1977121** 6.41D-02 < 2s|9s1>= 9.6D-06 < 1s|9s1>= 7.2D-06 < 2s|9s2>= 1.4D-07 <3sh|9s2>= 2.9D-08 < 1s|9s2>= 1.1D-07 1 0.000235 2 0.129057 3 -0.571372 4 0.073671 5 -0.022437 6 0.215421 7 0.289493 8 -0.245768 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.19D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-1.10635E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.74179E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.86727E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.40642E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.51477E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.67150E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.13782E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.61342E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2809412 0.4936103 0.9873024 c 7.91D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0166406************** 3.35D+00 ED = -0.206297; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-4.6D-02 < 1s|9s1>= 1.5D-02 9s1 0.0000308 -0.0285106 20.7794495** 1.60D-01 ED = -0.212230; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1159961 0.5609199** 8.47D-02 ED = -0.073279; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 5.7D-02 9p2 0.0000308 0.0678694 15.8423536** 2.94D-01 ED = -0.050449; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-6.1D-03 <3sh|9s2>= 3.1D-01 < 1s|9s2>= 8.1D-04 9s2 0.0000308 0.0452978 248.8557925** 2.06D-01 ED = -0.062173; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 7.0D-01 9d2 0.0000308 0.1224082 0.7492534** 2.10D-01 ED = -0.053505; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.9D-01 9p3 0.0000308 -0.1836176 3.8170929** 5.41D-01 ED = -0.056602; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0050588 0.5563288** 1.55D-01 < 2s|9s1>= 8.7D-08 < 1s|9s1>= 6.5D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.3D-08 < 1s|9s2>=-1.2D-07 1 0.027684 2 -0.022202 3 -0.906416 4 0.143536 5 -0.003472 6 0.098768 7 -0.221741 8 0.250985 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.57D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 6.72502E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.53084E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.13355E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.96168E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.14396E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.71655E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.95872E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.63082E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3178057 0.4938437 1.0004728 c 1.16D-01 9p1 4.1594822 -0.4108702 4.2543355** 4.60D-01 ED = -0.222150; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.3D-01 < 1s|9s1>=-1.0D-01 9s1 0.0000308 0.0378874 75.4554913** 1.54D-01 ED = -0.208820; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1585178 0.2647377** 2.41D-01 ED = -0.053653; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 2.8D-02 9p2 0.0000308 -0.0598737 5.7954940** 4.26D-01 < 2s|9s2>= 7.1D-01 <3sh|9s2>=-6.1D-01 < 1s|9s2>=-2.5D-01 9s2 0.2251170 0.2629999 72.8864912** 3.01D-01 ED = -0.163850; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-7.9D-01 9d2 0.0000308 0.0196715 4.8125479** 4.11D-01 ED = -0.039577; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.8D-01 9p3 0.0000308 0.1847252 20.2474172** 4.45D-01 ED = -0.011272; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0003475 1.3336556** 1.90D-01 < 2s|9s1>=-2.3D-06 < 1s|9s1>=-1.7D-06 < 2s|9s2>=-1.7D-05 <3sh|9s2>=-3.4D-06 < 1s|9s2>=-1.3D-05 1 0.006899 2 0.050392 3 -0.413027 4 -0.075337 5 -0.059838 6 -0.211634 7 0.207907 8 0.116030 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 2.19D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-2.77263E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-7.13190E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.87382E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.36349E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.27546E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.20777E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.64342E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.22748E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2666444 0.4951243 1.0025933 c 1.92D-01 9p1 87.4990372 -0.8143350 1.0067776** 8.28D-02 ED = -0.220144; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 0.0052449 52.3030961** 1.77D-01 ED = -0.202295; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2215723 0.4569239** 2.13D-01 ED = -0.081136; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.1D-01 9p2 0.0000308 0.0552823 7.9255923** 4.33D-01 ED = -0.118703; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.0D-02 <3sh|9s2>=-3.1D-01 < 1s|9s2>= 1.1D-02 9s2 0.0000308 -0.1006673 91.2742685** 5.10D-01 ED = -0.067827; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 7.9D-01 9d2 0.0000308 -0.0430920 1.6135888** 3.86D-01 ED = -0.023422; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.7D-01 9p3 0.0000308 0.2026336 3.8123912** 5.05D-01 ED = -0.075726; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0023648 1.5092872** 3.22D-01 < 2s|9s1>=-1.3D-05 < 1s|9s1>=-1.0D-05 < 2s|9s2>= 6.6D-08 <3sh|9s2>= 1.3D-08 < 1s|9s2>= 4.9D-08 1 0.023859 2 -0.023165 3 -0.217223 4 0.142460 5 -0.020180 6 -0.381508 7 -0.126660 8 -0.396574 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.92D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 6.41564E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.59090E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.67927E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.90561E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.08835E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.82072E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.28771E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.74798E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2621077 0.4895048 0.9886502 c 1.73D-02 9p1 24.9462631 -0.6545994 1.0015580** 2.71D-02 ED = -0.178458; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 6.1D-02 < 1s|9s1>=-1.9D-02 9s1 0.0000308 0.0092604 67.1537879** 9.38D-02 ED = -0.222165; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1428458 1.1960890** 2.58D-01 ED = -0.065740; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-3.7D-02 9p2 0.0000308 -0.0186649 15.2569435** 3.27D-01 ED = -0.088360; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-3.0D-02 <3sh|9s2>=-3.1D-01 < 1s|9s2>= 1.5D-02 9s2 0.0000308 -0.1079866 369.8304759** 9.98D-02 ED = -0.050897; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-1.9D-01 9d2 0.0000308 -0.0702998 0.8207356** 3.74D-01 ED = -0.064523; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.8D-01 9p3 0.0000308 0.1130216 6.6716779** 5.32D-01 ED = -0.036624; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0032182 0.7995359** 1.27D-01 < 2s|9s1>=-7.7D-07 < 1s|9s1>=-5.7D-07 < 2s|9s2>= 6.9D-08 <3sh|9s2>= 1.4D-08 < 1s|9s2>= 5.1D-08 1 0.008846 2 0.031987 3 -0.394386 4 0.056946 5 0.041353 6 -1.399781 7 0.658468 8 0.102715 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 1.43D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-4.45326E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.13177E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.38563E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.53343E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.66206E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.67672E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.49172E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.59375E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3010561 0.4986801 1.0187442 c 1.29D-01 9p1 67.8412295 -0.7867089 1.0015152** 3.19D-02 ED = -0.221408; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.8D-01 < 1s|9s1>= 8.2D-02 9s1 0.0000308 -0.0405242 217.4946890** 1.29D-01 ED = -0.211451; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2096094 0.4175487** 2.09D-01 ED = -0.060529; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.1D-02 9p2 0.0000308 -0.0443891 42.4930922** 2.53D-01 ED = -0.066392; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.6D-02 <3sh|9s2>= 2.6D-01 < 1s|9s2>=-1.6D-02 9s2 0.0000308 0.0644725 66.0519158** 2.23D-01 ED = -0.072855; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 5.7D-01 9d2 0.0000308 -0.0250620 0.4558218** 3.55D-01 ED = -0.033245; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 7.9D-01 9p3 0.0000308 0.1335071 1.8404115** 4.67D-01 9f1 0.1605345 -0.0037604 1.4336136** 1.45D-01 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 8.7D-07 < 2s|9s2>=-1.3D-07 <3sh|9s2>=-2.7D-08 < 1s|9s2>=-9.8D-08 1 0.017012 2 -0.020957 3 -0.254199 4 -0.005170 5 0.008587 6 0.147232 7 0.046293 8 -0.240633 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 4.97D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 6.73957E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.78422E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.73213E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-8.81397E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62806E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.31335E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.29776E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.27157E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2510214 0.4955319 0.9936869 c 1.99D-01 9p1 35.2327397 -0.7041641 1.0019533** 3.31D-02 ED = -0.213299; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 4.3D-01 < 1s|9s1>=-2.2D-01 9s1 0.0000308 0.0017227 53.5544366** 2.51D-01 ED = -0.197150; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2244199 0.7308934** 1.50D-01 ED = -0.105608; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.6D-01 9p2 0.0000308 -0.0393537 63.6795357** 2.32D-01 ED = -0.059074; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.8D-01 <3sh|9s2>=-4.6D-01 < 1s|9s2>=-5.8D-02 9s2 0.0000308 0.2562038 61.0251956** 2.59D-01 ED = -0.068783; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-2.8D-01 9d2 0.0000308 0.1383606 0.9354115** 4.33D-01 ED = -0.055018; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.8D-01 9p3 0.0000308 0.2488950 11.6169629** 5.57D-01 ED = -0.065860; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0063348 0.4851310** 1.77D-01 < 2s|9s1>=-1.9D-04 < 1s|9s1>=-1.4D-04 < 2s|9s2>= 4.1D-08 <3sh|9s2>= 8.3D-09 < 1s|9s2>= 3.0D-08 1 0.019715 2 0.131680 3 -0.222676 4 0.130222 5 -0.070404 6 0.129246 7 0.198201 8 0.976563 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.99D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-1.05187E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.84828E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.67220E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.06908E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.50256E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.87830E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.70934E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-4.64825E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2490364 0.4960013 1.0009472 c 7.97D-03 9p1 30.4956734 -0.6640262 1.0006155** 1.27D-02 ED = -0.200980; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.0D-01 < 1s|9s1>= 1.3D-01 9s1 0.0000308 -0.0877993 23.0693328** 2.65D-01 ED = -0.239156; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0516866 3.3395291** 4.81D-01 ED = -0.072854; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.7D-01 9p2 0.0000308 0.0575788 13.0578330** 2.45D-01 ED = -0.075234; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-7.1D-03 <3sh|9s2>= 2.4D-01 < 1s|9s2>= 2.5D-04 9s2 0.0000308 0.0290737 104.8723326** 2.11D-01 <3dh|9d2>=-1.3D-01 9d2 0.0003016 0.0274503 6.9078705** 3.03D-01 ED = -0.062456; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.4D-01 9p3 0.0000308 0.0362503 2.3279527** 2.79D-01 ED = -0.066969; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0059843 0.1999101** 2.51D-01 < 2s|9s1>= 1.5D-06 < 1s|9s1>= 1.1D-06 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 0.023450 2 -0.069278 3 0.367408 4 -0.096700 5 0.012054 6 -0.250906 7 -0.139933 8 -0.098313 LEAST SELF-CONSISTENT FUNCTION IS 9f1 :WEIGHTED MAXIMUM CHANGE = 2.46D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 2.01515E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.79290E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.22946E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.05335E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05422E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.79676E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03974E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.91257E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1517201 0.4946344 0.9972442 c 6.41D-01 9p1 25.9177130 -0.6429494 1.0055821** 3.98D-02 ED = -0.229194; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 4.1D-01 < 1s|9s1>=-2.3D-01 9s1 0.0000308 -0.0345543 25.1004973** 2.75D-01 ED = -0.214648; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2145208 0.5581637** 7.42D-01 ED = -0.050971; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.8D-01 9p2 0.0000308 -0.0505205 14.8801571** 2.42D-01 ED = -0.040497; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.7D-02 <3sh|9s2>=-3.2D-01 < 1s|9s2>=-5.2D-03 9s2 0.0000308 -0.0437309 542.6061376** 1.81D-01 ED = -0.039113; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 3.9D-01 9d2 0.0000308 -0.0704205 0.9540651** 2.39D-01 ED = -0.045746; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.4D-01 9p3 0.0000308 -0.2001084 7.3273782** 4.39D-01 ED = -0.083071; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0027516 1.9220327** 2.06D-01 < 2s|9s1>= 8.3D-06 < 1s|9s1>= 6.2D-06 < 2s|9s2>= 1.4D-07 <3sh|9s2>= 2.8D-08 < 1s|9s2>= 1.0D-07 1 0.031022 2 1.495928 3 2.053341 4 -0.413317 5 -0.810752 6 48.887402 7 0.352823 8 -2.609727 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.41D-01 *** CALCULATIONS FOR k^2 = 0.9400 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 0.003763 2 0.123211 3 0.201878 4 0.025047 5 -0.005571 6 -0.996016 7 -0.041426 8 0.361728 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-1.16257E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.20619E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.49629E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.28066E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.64247E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.87979E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14099E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.65854E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 110points in CSOLVE. End of range: 16.651494963610 au. kpc 0.2562914 0.4868314 0.9842247 c 4.08D-01 9p1 165.0873202 -0.7903580 1.0028740** 3.23D-02 ED = -0.161826; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.1D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 -0.1266054 29.5538999** 2.77D-01 ED = -0.254199; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1240451 1.3615891** 3.37D-01 ED = -0.048293; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 6.8D-02 9p2 0.0000308 0.0034039 140.7508242** 1.62D-01 ED = -0.049746; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-4.2D-01 <3sh|9s2>= 7.2D-01 < 1s|9s2>= 2.2D-01 9s2 0.0000308 -0.3060058 74.1566778** 2.58D-01 ED = -0.049423; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 3.1D-02 9d2 0.0000308 -0.0589313 0.3800360** 1.60D-01 ED = -0.012341; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.5D-01 9p3 0.0000308 0.1251864 25.1264179** 3.49D-01 ED = -0.035587; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0014325 2.0657791** 1.39D-01 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.2D-07 < 2s|9s2>=-7.4D-08 <3sh|9s2>=-1.5D-08 < 1s|9s2>=-5.5D-08 1 -0.000370 2 -0.146926 3 0.960662 4 -0.062223 5 0.733630 6 5.833170 7 0.296418 8 0.082474 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.08D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 6.82589E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.12359E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.98426E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-8.71032E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.72163E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.15127E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.38299E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.36870E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1297173 0.5066460 1.0407012 c 9.76D-01 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0033362************** 5.21D-01 ED = -0.214661; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.6D-01 < 1s|9s1>=-8.7D-02 9s1 0.0000308 0.0042681 95.0166755** 1.96D-01 ED = -0.181144; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1547236 0.5081000** 4.45D-01 ED = -0.067663; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-3.5D-02 9p2 0.0000308 -0.0140533 316.0071469** 1.49D-01 ED = -0.043412; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.9D-02 <3sh|9s2>=-3.3D-01 < 1s|9s2>=-1.8D-03 9s2 0.0000308 -0.0338623 15.9487999** 3.29D-01 ED = -0.048530; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-7.5D-01 9d2 0.0000308 0.0181353 0.0723538** 2.65D-01 <2ph|9p3>=-1.0D+00 9p3 0.0610851 -0.2024053 21.3333139** 4.05D-01 9f1 0.1057276 0.0010226 6.4207386** 2.33D-01 < 2s|9s1>=-8.6D-06 < 1s|9s1>=-6.4D-06 < 2s|9s2>= 1.8D-07 <3sh|9s2>= 3.7D-08 < 1s|9s2>= 1.4D-07 1 -0.033667 2 0.017898 3 0.315367 4 0.023803 5 0.048358 6 -0.520235 7 0.383868 8 -0.124337 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 1.55D+00 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-9.58243E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.49723E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.56864E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.74431E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.13161E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.14593E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.70136E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.26312E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2205349 0.4701439 0.9279534 c 4.12D-01 9p1 2.4002608 0.2986064 5.6373103** 4.22D-01 ED = -0.001516; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-5.0D-01 < 1s|9s1>= 1.5D-01 9s1 0.0000308 -0.3048780 150.5290061** 2.54D-01 ED = -0.288607; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2149468 0.5802592** 5.16D-01 ED = -0.046352; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 2.8D-02 9p2 0.0000308 0.0127039 119.3552691** 1.47D-01 ED = -0.054364; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 6.7D-02 <3sh|9s2>= 1.3D-01 < 1s|9s2>=-4.9D-02 9s2 0.0000308 0.0636380 71.4375234** 2.01D-01 ED = -0.047039; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 5.0D-01 9d2 0.0000308 -0.1159319 0.3016897** 3.46D-01 ED = -0.038262; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.6D-01 9p3 0.0000308 -0.1836735 6.1330927** 4.21D-01 ED = -0.176147; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0036663 1.5426046** 4.31D-01 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.1D-06 < 2s|9s2>=-7.7D-08 <3sh|9s2>=-1.6D-08 < 1s|9s2>=-5.7D-08 1 0.011436 2 -0.110177 3 0.216961 4 0.019437 5 0.016739 6 -0.197323 7 -0.123570 8 -0.271528 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.12D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 1.19386E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.37669E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.51609E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.06212E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.23703E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.22283E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.16561E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.21319E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2332087 0.4884456 1.0389279 c 5.43D-02 ED = -54.753312; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0138127 492.2316112** 5.90D-01 ED = -0.189454; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 0.0293694 29.9163042** 2.55D-01 ED = -0.182152; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1732628 1.0342380** 1.03D-01 ED = -0.054356; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 2.1D-01 9p2 0.0000308 0.0024682 44.9241079** 2.73D-01 ED = -0.046577; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 9.7D-02 <3sh|9s2>=-1.9D-01 < 1s|9s2>=-3.3D-02 9s2 0.0000308 0.1240904 82.6496688** 1.77D-01 ED = -0.043841; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 2.3D-01 9d2 0.0000308 -0.0661638 1.6671408** 2.17D-01 ED = -0.029834; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.9D-01 9p3 0.0000308 -0.2136778 1.5675808** 3.52D-01 ED = -0.043087; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0067101 0.5341866** 1.20D-01 < 2s|9s1>=-2.8D-06 < 1s|9s1>=-2.1D-06 < 2s|9s2>= 3.1D-08 <3sh|9s2>= 6.3D-09 < 1s|9s2>= 2.3D-08 1 -0.014192 2 0.054527 3 0.395224 4 0.399220 5 -0.147136 6 1.497043 7 -0.608904 8 6.535889 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.43D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-2.28110E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-7.60759E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.81530E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 6.59204E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.43523E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.40200E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.32593E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-8.72498E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1521891 0.4828255 0.9884938 c 5.32D-01 ED = -9.263132; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0092337 426.4549703** 5.00D-01 ED = -0.194231; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.5D-01 < 1s|9s1>= 7.3D-02 9s1 0.0000308 -0.0092385 88.7601528** 1.64D-01 ED = -0.184376; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0163778 7.9933519** 3.99D-01 ED = -0.053389; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.4D-02 9p2 0.0000308 0.0869565 7.5603330** 3.91D-01 ED = -0.044620; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 8.5D-03 <3sh|9s2>= 2.7D-01 < 1s|9s2>=-6.2D-03 9s2 0.0000308 0.0564050 317.2188964** 1.74D-01 ED = -0.049330; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 1.5D-01 9d2 0.0000308 0.0038193 4.7088616** 2.20D-01 ED = -0.045066; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.0D-01 9p3 0.0000308 -0.1694664 2.0774455** 4.43D-01 ED = -0.049797; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0011430 0.1588737** 1.11D-01 < 2s|9s1>= 3.4D-06 < 1s|9s1>= 2.5D-06 < 2s|9s2>=-1.1D-07 <3sh|9s2>=-2.3D-08 < 1s|9s2>=-8.3D-08 1 -0.021363 2 -0.044979 3 -0.101438 4 -0.159787 5 0.030581 6 0.034891 7 -0.135245 8 -0.052489 LEAST SELF-CONSISTENT FUNCTION IS 9f1 :WEIGHTED MAXIMUM CHANGE = 7.24D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 3.03570E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 9.47999E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.49973E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.39298E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.72118E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-7.55872E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.27382E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.90570E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1552627 0.4868275 1.0082886 c 1.98D-02 9p1 5.7071705 0.4240945 4.4515475** 4.82D-01 ED = -0.187111; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0406739 109.7380393** 1.70D-01 ED = -0.187946; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1943139 2.2091334** 6.25D-01 ED = -0.045735; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.4D-01 9p2 0.0000308 -0.1002688 3.4869621** 3.79D-01 ED = -0.019604; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.5D-03 <3sh|9s2>=-2.9D-01 < 1s|9s2>= 3.8D-03 9s2 0.0000308 -0.0563024 509.4663798** 1.84D-01 <3dh|9d2>= 7.2D-01 9d2 0.0047735 0.1567318 4.5346101** 5.00D-01 ED = -0.075859; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.7D-01 9p3 0.0000308 -0.2658307 4.1787411** 5.98D-01 ED = -0.024442; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0292857 0.7362580** 4.45D-01 < 2s|9s1>=-2.2D-06 < 1s|9s1>=-1.6D-06 < 2s|9s2>= 1.2D-07 <3sh|9s2>= 2.3D-08 < 1s|9s2>= 8.6D-08 1 0.013299 2 0.040402 3 -0.254441 4 0.212962 5 -0.028383 6 0.101807 7 -0.120539 8 -0.037545 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 8.09D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-3.57102E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.00560E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.38179E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.72721E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.03186E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.80748E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.83525E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40998E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2337354 0.4821968 0.9904880 c 3.36D-01 ED = -47.920419; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0144890 438.7829824** 5.78D-01 ED = -0.132562; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.6D-01 < 1s|9s1>= 1.3D-01 9s1 0.0000308 -0.1479751 62.6417143** 2.27D-01 ED = -0.231771; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1914308 0.7874842** 1.39D-01 ED = -0.046257; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 2.6D-01 9p2 0.0000308 0.0972332 2.4760438** 3.97D-01 ED = -0.027018; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 4.9D-03 <3sh|9s2>= 2.9D-01 < 1s|9s2>=-3.0D-03 9s2 0.0000308 0.0622954 692.7110105** 1.85D-01 ED = -0.119898; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 6.3D-01 9d2 0.0000308 0.0454316 4.5725869** 4.88D-01 ED = -0.005699; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 5.5D-01 9p3 0.0000308 -0.0096104 2.8352584** 4.07D-01 ED = -0.118622; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0256592 0.8764803** 1.07D-01 < 2s|9s1>= 1.3D-06 < 1s|9s1>= 9.9D-07 < 2s|9s2>=-1.0D-07 <3sh|9s2>=-2.1D-08 < 1s|9s2>=-7.7D-08 1 -0.017968 2 -0.143842 3 -0.210987 4 -1.030261 5 -0.096073 6 3.671577 7 0.575837 8 -0.024226 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.36D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 9.28014E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.61329E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.36281E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 5.26340E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.26848E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.12958E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.04355E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.27127E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2945528 0.5115806 1.0609375 c 2.06D-01 ED = -7.239551; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0076510 503.8136088** 4.09D-01 ED = -0.185013; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.0D-01 < 1s|9s1>=-9.1D-02 9s1 0.0000308 0.0492637 88.8809118** 2.09D-01 ED = -0.183536; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1181144 1.2713028** 1.80D-01 ED = -0.050703; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-3.1D-02 9p2 0.0000308 -0.0128209 18.6305028** 2.54D-01 ED = -0.044968; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.3D-02 <3sh|9s2>= 2.9D-01 < 1s|9s2>=-7.8D-03 9s2 0.0000308 0.0742156 542.8348174** 9.33D-02 ED = -0.045534; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-3.7D-02 9d2 0.0000308 0.0153194 0.3984221** 1.63D-01 ED = -0.071799; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 2.6D-01 9p3 0.0000308 0.0821009 2.6165158** 3.34D-01 9f1 0.4768811 0.0321016 1.2196304** 2.24D-01 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.3D-07 < 2s|9s2>=-9.3D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.015104 2 0.010462 3 -0.808641 4 -0.010967 5 0.020075 6 -0.058915 7 -0.016398 8 -0.031186 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 5.97D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-1.47762E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.54331E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 7.07885E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.13276E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.26658E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.01466E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.50302E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.40919E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2971772 0.4807411 0.9397173 c 8.83D-03 9p1 5.3722047 0.4265249 6.4387676** 4.06D-01 ED = -0.076472; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-8.1D-01 < 1s|9s1>= 2.2D-01 9s1 0.0000308 -0.4141674 39.2962269** 4.45D-01 ED = -0.194627; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2190720 0.2194450** 2.44D-01 ED = -0.063160; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-7.1D-02 9p2 0.0000308 0.0436014 48.1665411** 1.97D-01 ED = -0.013081; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 7.3D-02 <3sh|9s2>=-3.2D-01 < 1s|9s2>=-5.1D-02 9s2 0.0000308 -0.0145162 87.6702829** 1.89D-01 ED = -0.012438; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.7D-01 9d2 0.0000308 -0.2401739 0.4998403** 4.47D-01 ED = -0.012051; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.3D-01 9p3 0.0000308 0.1399143 7.7337095** 4.72D-01 ED = -0.502127; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0039218 2.4392799** 4.23D-01 < 2s|9s1>= 7.3D-06 < 1s|9s1>= 5.4D-06 < 2s|9s2>= 1.9D-07 <3sh|9s2>= 3.8D-08 < 1s|9s2>= 1.4D-07 1 -0.006930 2 0.204389 3 -0.209049 4 0.024737 5 -0.009663 6 -0.050516 7 -0.096238 8 -0.026367 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 1.97D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-8.57785E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.74443E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.05426E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 8.43852E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.40842E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.99506E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.47667E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-8.06961E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2714085 0.4747778 0.9875954 c 9.49D-02 9p1 88.7704715 0.8301412 1.0043559** 8.64D-02 ED = -0.176499; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.8D-01 < 1s|9s1>=-7.5D-02 9s1 0.0000308 0.0951749 35.0087029** 4.51D-01 ED = -0.104136; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.2147178 0.9002284** 1.01D-01 ED = -0.006131; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-6.7D-01 9p2 0.0000308 -0.0721481 21.8546854** 3.24D-01 ED = -0.103493; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 5.2D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>=-4.2D-02 9s2 0.0000308 -0.1265495 88.2674435** 1.60D-01 ED = -0.094962; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-6.6D-01 9d2 0.0000308 -0.1711709 2.4752297** 7.62D-01 ED = -0.068262; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-8.4D-01 9p3 0.0000308 -0.2316013 4.4821558** 5.61D-01 ED = -0.074935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0194780 1.6123796** 4.98D-01 < 2s|9s1>=-3.6D-07 < 1s|9s1>=-2.7D-07 < 2s|9s2>= 6.1D-08 <3sh|9s2>= 1.2D-08 < 1s|9s2>= 4.5D-08 1 -0.035258 2 0.008325 3 -0.222430 4 -0.599686 5 0.131295 6 -0.124683 7 0.370278 8 -0.037460 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.49D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-1.61091E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.51067E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.99697E-04 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.27862E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.07216E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.55078E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.78409E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.53122E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2600718 0.4958721 1.0444299 c 4.36D-02 9p1 16.7957628 0.5596646 1.0078532** 6.06D-02 ED = -0.152424; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0109129 369.4502217** 1.68D-01 ED = -0.163253; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1621881 1.1095768** 1.55D-01 ED = -0.052132; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.1D-01 9p2 0.0000308 -0.0834706 1.7413155** 4.33D-01 ED = -0.026961; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.1D-02 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 7.2D-03 9s2 0.0000308 -0.0684500 497.2625056** 1.52D-01 ED = -0.202307; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-7.3D-01 9d2 0.0000308 -0.0179676 11.7492837** 5.36D-01 ED = -0.051546; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 6.5D-01 9p3 0.0000308 0.1993068 2.4644771** 4.69D-01 9f1 0.0476490 0.0297139 0.8449127** 1.43D-01 < 2s|9s1>= 6.4D-06 < 1s|9s1>= 4.8D-06 < 2s|9s2>= 9.9D-08 <3sh|9s2>= 2.0D-08 < 1s|9s2>= 7.4D-08 1 0.006159 2 -0.048320 3 -0.352263 4 0.140037 5 -0.031121 6 0.063650 7 0.029115 8 -0.033494 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 2.59D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 2.96901E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 8.02841E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.58192E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.38104E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.12780E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.80748E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.62679E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.04302E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2406862 0.4858059 0.9797001 c 8.05D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0157316 892.2376773** 6.00D-01 ED = -0.177844; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 3.6D-01 < 1s|9s1>=-1.6D-01 9s1 0.0000308 0.0841488 38.9915604** 2.13D-01 ED = -0.191837; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1997633 0.5806663** 9.11D-02 ED = -0.046884; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 4.6D-01 9p2 0.0000308 0.1476351 2.2050752** 5.26D-01 ED = -0.011772; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 3.2D-03 <3sh|9s2>= 3.1D-01 < 1s|9s2>=-3.0D-03 9s2 0.0000308 0.0639569 472.7133167** 1.89D-01 ED = -0.097207; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 7.5D-01 9d2 0.0000308 0.0765016 3.8796671** 3.34D-01 <2ph|9p3>= 5.2D-01 9p3 0.1504613 0.4818429 1.7360609** 4.97D-01 ED = -0.086989; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0095052 1.9362796** 2.57D-01 < 2s|9s1>=-2.5D-06 < 1s|9s1>=-1.9D-06 < 2s|9s2>=-1.1D-07 <3sh|9s2>=-2.3D-08 < 1s|9s2>=-8.5D-08 1 -0.008431 2 0.141415 3 -0.280467 4 -1.569461 5 0.203928 6 0.212055 7 0.026839 8 0.108776 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.05D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-7.75827E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.78188E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.38586E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.96242E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.42678E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.04278E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.38348E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.40326E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2200665 0.5128608 1.0556907 c 9.37D-02 ED = -15.653673; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0053690 732.1909721** 4.89D-01 ED = -0.193344; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.0375318 52.6388899** 2.17D-01 ED = -0.171565; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1335523 1.1398089** 1.51D-01 ED = -0.050864; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.8D-01 9p2 0.0000308 -0.0777492 2.1095483** 4.03D-01 < 2s|9s2>=-3.5D-02 <3sh|9s2>=-6.7D-01 < 1s|9s2>= 2.0D-02 9s2 0.0014941 -0.1837622 201.1222188** 2.63D-01 <3dh|9d2>= 9.0D-01 9d2 0.0607166 0.0229095 5.0047704** 3.50D-01 <2ph|9p3>=-4.2D-01 9p3 1.5839061 0.1282291 1.5351018** 3.77D-01 ED = -0.441781; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0020769 3.9426547** 5.19D-01 < 2s|9s1>= 1.7D-06 < 1s|9s1>= 1.3D-06 < 2s|9s2>= 2.9D-07 <3sh|9s2>= 5.8D-08 < 1s|9s2>= 2.1D-07 1 -0.037571 2 -0.030884 3 -0.498766 4 0.171892 5 -0.106996 6 0.055738 7 0.040510 8 0.112313 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 6.32D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 4.88599E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.28727E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39012E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 7.60406E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.37842E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.11188E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.74737E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.51152E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2603438 0.4845382 0.9447754 c 1.55D-01 9p1 3.0688204 0.3393038 4.1192980** 4.49D-01 ED = -0.140444; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 4.0D-01 < 1s|9s1>=-1.4D-01 9s1 0.0000308 0.1600844 57.7168326** 2.30D-01 ED = -0.200810; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1619097 0.4957195** 5.20D-02 ED = -0.048506; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.9D-01 9p2 0.0000308 0.0891255 4.6298098** 4.13D-01 ED = -0.030559; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.8D-03 <3sh|9s2>= 2.9D-01 < 1s|9s2>=-1.5D-03 9s2 0.0000308 0.0608722 171.3690410** 2.87D-01 <3dh|9d2>= 8.0D-01 9d2 0.0739234 0.1768638 1.6584710** 4.08D-01 <2ph|9p3>= 7.7D-01 9p3 0.1289287 0.4492320 1.3529558** 4.04D-01 9f1 0.0050717 -0.0045082 0.9940454** 7.54D-02 < 2s|9s1>=-1.7D-06 < 1s|9s1>=-1.3D-06 < 2s|9s2>=-1.0D-07 <3sh|9s2>=-2.1D-08 < 1s|9s2>=-7.8D-08 1 0.011039 2 0.091029 3 -0.355972 4 -0.212041 5 0.029586 6 0.076608 7 0.052437 8 0.097176 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.55D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-1.48652E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.09422E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.19100E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.42275E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.46100E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.91769E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.07366E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.98181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2465457 0.4890708 1.0093544 c 5.60D-02 ED = -57.071909; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0141515 511.7677716** 6.01D-01 ED = -0.186846; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.4D-01 < 1s|9s1>= 1.6D-01 9s1 0.0000308 -0.0540627 22.0488974** 2.55D-01 ED = -0.187188; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1629633 0.6795256** 9.54D-03 ED = -0.048399; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-3.2D-01 9p2 0.0000308 -0.0981092 3.5845544** 3.93D-01 ED = -0.027361; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-6.5D-03 <3sh|9s2>=-2.9D-01 < 1s|9s2>= 5.0D-03 9s2 0.0000308 -0.0623856 712.6782821** 1.88D-01 ED = -0.043451; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 6.4D-01 9d2 0.0000308 0.0559272 4.7456762** 4.46D-01 ED = -0.029007; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 3.4D-01 9p3 0.0000308 0.2507553 3.0189814** 4.42D-01 9f1 0.0018154 -0.0096433 0.7868398** 8.57D-02 < 2s|9s1>= 3.2D-06 < 1s|9s1>= 2.4D-06 < 2s|9s2>= 1.1D-07 <3sh|9s2>= 2.1D-08 < 1s|9s2>= 7.9D-08 1 -0.001190 2 -0.070336 3 -0.334134 4 0.465068 5 0.005948 6 0.780023 7 0.323888 8 -0.070362 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 8.32D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 1.94619E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.33283E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.15557E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.23896E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.12099E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.45474E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.43323E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.19438E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2655220 0.4900880 1.0020799 c 7.15D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01213965488.2219511** 4.69D-01 ED = -0.176319; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 5.4D-01 < 1s|9s1>=-2.4D-01 9s1 0.0000308 0.1272214 15.8006293** 3.11D-01 ED = -0.193663; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1735887 0.6335608** 7.57D-02 ED = -0.050039; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 6.5D-02 9p2 0.0000308 0.0291278 11.0281624** 2.96D-01 ED = -0.027145; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-8.0D-03 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 5.3D-03 9s2 0.0000308 -0.06463075092.5029828** 9.08D-02 ED = -0.040493; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 3.0D-01 9d2 0.0000308 0.0220584 1.1471652** 1.50D-01 ED = -0.027456; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-7.3D-01 9p3 0.0000308 -0.0628569 1.8267794** 3.87D-01 ED = -0.137817; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0015430 7.2154702** 2.46D-01 < 2s|9s1>=-4.6D-06 < 1s|9s1>=-3.5D-06 < 2s|9s2>= 9.6D-08 <3sh|9s2>= 1.9D-08 < 1s|9s2>= 7.1D-08 1 0.056057 2 -0.146366 3 -0.302343 4 -0.644781 5 -0.044675 6 -0.167036 7 2.367993 8 0.552597 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 1.38D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) = 9.32928E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.47592E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 7.99434E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.59653E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.36192E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.90359E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.52822E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.97432E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2708706 0.4695169 0.9580256 c 1.97D-02 ED = -2.362875; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0089431 155.4115736** 4.49D-01 ED = -0.204295; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.4D-01 < 1s|9s1>= 6.1D-02 9s1 0.0000308 -0.0382532 177.6251247** 2.54D-01 ED = -0.190352; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0451507 2.5642079** 3.45D-01 ED = -0.051547; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.7D-02 9p2 0.0000308 -0.0565845 14.6648352** 2.97D-01 ED = -0.061427; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.3D-02 <3sh|9s2>= 2.7D-01 < 1s|9s2>=-7.7D-03 9s2 0.0000308 0.06478031061.7720940** 1.78D-01 ED = -0.108646; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-5.7D-01 9d2 0.0000308 -0.0137684 10.8707887** 3.06D-01 ED = -0.037630; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-5.5D-01 9p3 0.0000308 -0.0738427 0.1137185** 4.29D-01 9f1 0.0179494 -0.0015801 1.1791469** 2.93D-01 < 2s|9s1>= 6.3D-07 < 1s|9s1>= 4.7D-07 < 2s|9s2>=-1.0D-07 <3sh|9s2>=-2.1D-08 < 1s|9s2>=-7.7D-08 1 -0.018155 2 -0.270412 3 0.419252 4 -0.566508 5 -1.798442 6 -8.046471 7 19.697554 8 7.340847 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.02D+00 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-5.58469E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.84323E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.58274E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-8.19015E-03 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.27587E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.32363E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.40933E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.73911E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.4457121 0.5531312 1.1780859 c 3.92D-01 ED = -5.583849; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035332 977.8543889** 3.41D-01 ED = -0.199340; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 3.3D-01 < 1s|9s1>=-1.5D-01 9s1 0.0000308 0.0652689 125.3532210** 2.83D-01 ED = -0.201410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0134006 11.9129157** 3.60D-01 ED = -0.055139; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 4.9D-03 9p2 0.0000308 0.0215252 67.2168181** 2.20D-01 ED = -0.049729; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.8D-03 <3sh|9s2>=-1.5D-01 < 1s|9s2>= 1.8D-03 9s2 0.0000308 -0.0279401 161.7131328** 1.65D-01 ED = -0.050683; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.5D-01 9d2 0.0000308 -0.0023101 1.4292911** 4.20D-01 ED = -0.043382; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 5.4D-01 9p3 0.0000308 0.0334561 0.5826674** 3.19D-01 9f1 0.0091817 -0.0000441 1.2860370** 9.57D-02 < 2s|9s1>=-2.4D-06 < 1s|9s1>=-1.8D-06 < 2s|9s2>= 6.7D-08 <3sh|9s2>= 1.3D-08 < 1s|9s2>= 4.9D-08 1 -0.023828 2 0.177583 3 -0.236975 4 0.111938 5 0.016527 6 0.800709 7 0.647667 8 0.387412 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 6.29D+00 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-7.69305E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.21478E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.23996E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.51346E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.55030E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.70919E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.35711E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.57337E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1456135 0.4952684 0.8953904 c 2.06D+00 9p1 1.8125825 0.2651642 9.6853832** 4.10D-01 ED = -0.166406; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 8.3D-02 9s1 0.0000308 -0.0787292 113.9096959** 2.98D-01 ED = -0.160759; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1198411 1.6651603** 4.78D-01 ED = -0.058750; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.7D-01 9p2 0.0000308 0.0290338 30.4897735** 2.22D-01 ED = -0.048423; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.9D-01 <3sh|9s2>=-5.8D-01 < 1s|9s2>=-1.3D-01 9s2 0.0000308 0.0123901 65.9037288** 1.99D-01 ED = -0.043316; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-6.3D-01 9d2 0.0000308 0.0228869 1.2153768** 4.06D-01 ED = -0.012310; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.5D-01 9p3 0.0000308 0.1769890 6.0952807** 5.22D-01 9f1 0.0211692 -0.0022544 1.1420796** 8.66D-02 < 2s|9s1>= 7.7D-07 < 1s|9s1>= 5.7D-07 < 2s|9s2>=-2.8D-07 <3sh|9s2>=-5.6D-08 < 1s|9s2>=-2.1D-07 1 0.041212 2 0.010462 3 -0.598373 4 0.023625 5 -0.062358 6 0.279755 7 -0.516128 8 -0.126899 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.06D+00 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-1.63637E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.80921E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.40218E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.35283E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.00322E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.56601E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.05608E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-4.23008E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2310023 0.4711247 0.9512513 c 3.70D-01 ED = -15.927436; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0228895 122.5599643** 6.00D-01 ED = -0.486825; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-5.3D-02 < 1s|9s1>=-1.7D-02 9s1 0.0000308 -0.1071288 372.5650918** 1.89D-01 ED = -0.215928; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1928245 0.3126800** 5.29D-01 ED = -0.045059; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.1D-02 9p2 0.0000308 0.0899250 33.7023657** 2.97D-01 ED = -0.048646; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-5.0D-02 <3sh|9s2>= 3.2D-01 < 1s|9s2>= 3.4D-02 9s2 0.0000308 0.0223961 61.4160487** 2.21D-01 ED = -0.043569; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 6.1D-01 9d2 0.0000308 0.0339909 1.6364484** 4.25D-01 ED = -0.029642; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.7D-01 9p3 0.0000308 0.1800119 11.2301054** 5.25D-01 9f1 0.1033629 0.0030207 1.1282558** 2.56D-01 < 2s|9s1>= 2.0D-08 < 1s|9s1>= 1.5D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.2D-08 < 1s|9s2>=-1.5D-07 1 -0.002808 2 -0.026628 3 -0.243826 4 -0.000709 5 0.100004 6 -1.022748 7 -0.058098 8 -0.096653 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.70D-01 *** CALCULATIONS FOR k^2 = 0.9200 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.015966 2 -0.017075 3 -0.215065 4 -0.161672 5 0.035973 6 0.502102 7 0.322965 8 0.061888 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 7.46643E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.17916E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.54764E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.78589E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.63896E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.53165E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.15297E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.26826E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 110points in CSOLVE. End of range: 16.651494963610 au. kpc 0.2310228 0.4866412 1.0329351 c 8.89D-05 ED = -8.674533; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0112876 373.5061388** 4.86D-01 ED = -0.172496; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.7D-01 < 1s|9s1>=-9.8D-02 9s1 0.0000308 -0.0305014 284.6969669** 1.04D-01 ED = -0.134084; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1987757 0.9920491** 4.11D-01 ED = -0.031108; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.8D-02 9p2 0.0000308 -0.0092174 10.9849774** 3.29D-01 ED = -0.008100; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.1D-02 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 9.6D-03 9s2 0.0000308 -0.0574913 373.8952052** 2.01D-01 ED = -0.025907; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-7.9D-02 9d2 0.0000308 0.0954541 0.4526335** 3.17D-01 ED = -0.032637; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.7D-01 9p3 0.0000308 0.1942769 6.3008199** 5.22D-01 9f1 0.1578208 -0.0111252 1.2089877** 2.25D-01 < 2s|9s1>= 1.3D-06 < 1s|9s1>= 9.3D-07 < 2s|9s2>= 1.2D-07 <3sh|9s2>= 2.4D-08 < 1s|9s2>= 9.0D-08 1 -0.072228 2 0.134171 3 -0.252220 4 -0.523859 5 -0.092314 6 0.366269 7 2.704746 8 0.628426 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.69D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-1.02294E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09382E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.94548E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 5.83305E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.02526E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.64485E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.55106E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.24170E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2681217 0.4844051 0.9954050 c 1.38D-01 9p1 1.3769129 0.2403927 3.7296451** 4.71D-01 ED = -0.162244; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.3D-01 < 1s|9s1>= 5.6D-02 9s1 0.0000308 -0.0354308 236.9371622** 1.75D-01 ED = -0.187567; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1179892 1.4148163** 2.78D-01 ED = -0.030869; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 3.7D-02 9p2 0.0000308 0.0555988 15.3866431** 2.82D-01 ED = -0.019811; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.9D-02 <3sh|9s2>=-4.1D-01 < 1s|9s2>= 1.5D-02 9s2 0.0000308 -0.1176987 198.2641657** 1.17D-01 ED = -0.007348; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-4.3D-01 9d2 0.0000308 0.0132667 4.5815020** 2.39D-01 ED = -0.023800; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 7.0D-01 9p3 0.0000308 0.1191087 0.5373629** 3.51D-01 ED = -0.041902; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0007541 1.7013212** 2.00D-01 < 2s|9s1>= 6.4D-07 < 1s|9s1>= 4.8D-07 < 2s|9s2>= 1.4D-07 <3sh|9s2>= 2.8D-08 < 1s|9s2>= 1.0D-07 1 0.014834 2 0.031542 3 -0.393715 4 -0.410699 5 -0.091452 6 0.825927 7 -1.092152 8 -0.491608 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 9.48D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-5.28373E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.17213E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 7.12706E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.18406E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.83277E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.33855E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.66385E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.51642E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2157522 0.4658120 0.9616167 c 2.43D-01 ED = -43.549781; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0206442 342.5934373** 5.88D-01 ED = -0.200464; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 7.9D-02 < 1s|9s1>=-3.8D-02 9s1 0.0000308 0.0144460 418.7180382** 1.73D-01 ED = -0.184395; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1374025 0.6585444** 6.42D-01 ED = -0.036182; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.4D-02 9p2 0.0000308 -0.0727235 4.6811286** 3.82D-01 < 2s|9s2>= 1.5D-02 <3sh|9s2>= 8.5D-01 < 1s|9s2>=-6.8D-03 9s2 0.0064561 0.2156371 50.1998232** 3.08D-01 ED = -0.036291; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 7.6D-01 9d2 0.0000308 0.0177404 1.5964884** 4.01D-01 ED = -0.003368; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.3D-01 9p3 0.0000308 0.1611831 5.5248831** 4.58D-01 9f1 0.0261297 0.0018536 1.0421497** 3.53D-02 < 2s|9s1>=-5.4D-07 < 1s|9s1>=-4.0D-07 < 2s|9s2>=-5.5D-07 <3sh|9s2>=-1.1D-07 < 1s|9s2>=-4.1D-07 1 -0.028640 2 -0.007752 3 -0.287191 4 -0.976715 5 -0.595536 6 -1.064195 7 0.280343 8 0.723116 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 5.00D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 1.77462E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.94725E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.13903E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.57564E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.01731E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.33375E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.48481E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.12885E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2289775 0.4621696 0.9921805 c 5.78D-02 ED = -5.027749; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0131434 232.6420231** 4.81D-01 ED = -0.161306; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.6D-01 < 1s|9s1>= 4.5D-02 9s1 0.0000308 -0.1319077 305.5956820** 1.82D-01 ED = -0.176281; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0854628 1.6985691** 4.63D-01 ED = -0.032192; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 6.7D-02 9p2 0.0000308 0.0469661 4.4046046** 3.56D-01 < 2s|9s2>=-3.6D-02 <3sh|9s2>=-7.3D-01 < 1s|9s2>= 1.9D-02 9s2 0.0021447 -0.2149475 29.8507705** 4.25D-01 ED = -0.019179; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 5.7D-01 9d2 0.0000308 -0.0091830 2.1503774** 2.53D-01 <2ph|9p3>=-8.5D-01 9p3 0.1587535 -0.2045929 2.0247543** 3.65D-01 ED = -0.064666; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0015839 0.9347776** 2.32D-01 < 2s|9s1>= 2.1D-07 < 1s|9s1>= 1.5D-07 < 2s|9s2>= 2.7D-07 <3sh|9s2>= 5.5D-08 < 1s|9s2>= 2.0D-07 1 -0.182626 2 0.034817 3 -7.984114 4 -2.308533 5 1.789137 6 3.519742 7 -0.166382 8 1.170118 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 3.47D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-8.97353E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.74693E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 8.42732E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-3.36192E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.42679E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.11769E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.21172E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.43322E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.9340117 0.3601210 0.7791966 c 7.55D-01 9p1 0.2221294 0.1287723 5.9740492** 4.22D-01 ED = -0.306409; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 9.1D-02 < 1s|9s1>=-1.2D-01 9s1 0.0000308 -0.1267859 286.9846241** 1.91D-01 ED = -0.174225; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0116849 0.1626628** 2.57D-01 ED = -0.043285; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.4D-02 9p2 0.0000308 -0.0127028 11.6604068** 2.97D-01 ED = -0.013264; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-5.9D-03 <3sh|9s2>=-2.7D-01 < 1s|9s2>= 3.3D-03 9s2 0.0000308 -0.0637975 56.5610527** 1.58D-01 ED = -0.025986; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 5.0D-01 9d2 0.0000308 0.0102330 0.6465207** 2.34D-01 <2ph|9p3>=-1.0D+00 9p3 0.3903241 -0.2049949 20.4484604** 4.84D-01 ED = -0.006200; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0018764 0.7275929** 2.43D-01 < 2s|9s1>= 1.2D-08 < 1s|9s1>= 8.7D-09 < 2s|9s2>= 8.8D-08 <3sh|9s2>= 1.8D-08 < 1s|9s2>= 6.5D-08 1 -3.787312 2 0.368822 3 -0.297782 4 0.459226 5 -0.204450 6 0.091789 7 -0.001760 8 0.954908 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 2.05D+00 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 2.10847E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.46650E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.11746E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.18856E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.02447E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.06970E-03 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.08024E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-8.60151E+01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.4177350 0.2385599 0.6624438 c 3.24D+00 ED = -0.360011; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0460960 1.3328261** 7.37D-01 < 2s|9s1>=-7.7D-01 < 1s|9s1>= 5.0D-01 9s1 0.0617246 -0.2093810 51.4009647** 3.65D-01 9d1 0.1909065 -0.0201331 2.2550702** 3.08D-01 <2ph|9p2>= 9.2D-01 9p2 0.0112759 0.1309051 13.2577706** 3.70D-01 < 2s|9s2>= 8.4D-01 <3sh|9s2>= 2.1D-01 < 1s|9s2>=-4.4D-01 9s2 0.0202834 0.6709967 12.8515769** 4.41D-01 ED = -0.147095; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 8.2D-01 9d2 0.0000308 0.0143272 16.2743701** 3.64D-01 <2ph|9p3>= 8.8D-01 9p3 23.6248480 -0.3006491 7.9863542** 5.69D-01 ED = -0.142786; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0000060 0.4797890** 5.86D-01 < 2s|9s1>= 1.1D-05 < 1s|9s1>= 7.9D-06 < 2s|9s2>=-6.3D-06 <3sh|9s2>=-1.3D-06 < 1s|9s2>=-4.7D-06 1 -0.348060 2 -0.233399 3 1.372762 4 -0.274233 5 -0.043837 6 0.127808 7 -0.031476 8 0.569955 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.24D+00 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) = 3.85297E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 8.99825E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.01844E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.24620E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.92625E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.24369E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.01674E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.89983E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0566044 0.4071420 1.7066657 c 8.38D+00 ED = -0.787186; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0597834 9.8128084** 7.33D-01 ED = -0.368515; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-8.7D-02 < 1s|9s1>= 9.5D-02 9s1 0.0000308 0.0714572 24.6551936** 4.05D-01 ED = -0.201442; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1345873 0.1727814** 6.30D-01 ED = -0.030667; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-5.0D-02 9p2 0.0000308 0.0181989 3.2635776** 3.63D-01 < 2s|9s2>=-2.2D-01 <3sh|9s2>=-2.6D-01 < 1s|9s2>=-9.4D-01 9s2 0.4882435 -1.9963712 9.8148422** 8.10D-01 ED = -0.019553; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-6.4D-01 9d2 0.0000308 0.0036040 4.7616405** 2.81D-01 ED = -1.421558; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.8D-01 9p3 0.0000308 0.1958591 289.3604275** 8.83D-01 ED = -0.180987; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0018193 0.4625084** 3.67D-01 < 2s|9s1>=-4.5D-08 < 1s|9s1>=-3.3D-08 < 2s|9s2>= 2.2D-07 <3sh|9s2>= 4.6D-08 < 1s|9s2>= 1.7D-07 1 0.267726 2 0.029798 3 0.339663 4 -0.030542 5 -0.050173 6 -0.104676 7 -0.069286 8 0.066575 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.38D+00 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-4.46513E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.66196E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.73322E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.62166E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-8.12982E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.39782E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.75444E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.13728E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1760097 0.4593475 1.1282244 c 6.78D-01 ED = -0.897478; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0226270 18.7754788** 4.82D-01 ED = -0.000307; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-8.4D-02 9s1 0.0000308 0.1027893 801.8420963** 1.97D-01 ED = -0.133566; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2078819 0.5620033** 2.94D-01 ED = -0.056680; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.4D-01 9p2 0.0000308 -0.0068071 36.6259091** 2.38D-01 < 2s|9s2>= 6.4D-01 <3sh|9s2>=-2.4D-02 < 1s|9s2>=-3.7D-01 9s2 0.1335147 -0.4021687 2.5489612** 4.71D-01 ED = -0.019186; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 7.5D-01 9d2 0.0000308 -0.1151845 1.3886854** 2.94D-01 ED = -0.049855; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.7D-01 9p3 0.0000308 0.1788793 41.5849428** 4.87D-01 ED = -0.094473; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0084440 1.0350733** 3.80D-01 < 2s|9s1>=-5.3D-07 < 1s|9s1>=-3.9D-07 < 2s|9s2>= 4.9D-06 <3sh|9s2>= 9.8D-07 < 1s|9s2>= 3.6D-06 1 -0.040473 2 0.006843 3 0.214647 4 0.132066 5 -0.074924 6 -0.124008 7 -0.109927 8 0.106226 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.78D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-2.07493E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.10130E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.95002E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.08671E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-9.36085E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.75720E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.31613E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.30518E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2448842 0.4725742 1.0287945 c 2.81D-01 ED = -3.551543; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0125991 163.8892383** 4.59D-01 ED = -0.176636; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.0D-01 < 1s|9s1>=-2.4D-02 9s1 0.0000308 0.1007341 526.5973505** 8.51D-02 ED = -0.159222; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2053307 0.8760947** 9.01D-02 ED = -0.030177; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.3D-03 9p2 0.0000308 0.0472350 3.6133726** 2.85D-01 ED = -0.059431; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.8D-02 <3sh|9s2>= 2.8D-01 < 1s|9s2>=-9.4D-03 9s2 0.0000308 0.0654315 128.9293850** 5.04D-01 ED = -0.033828; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-5.0D-01 9d2 0.0000308 -0.0603232 2.8812002** 3.08D-01 <2ph|9p3>=-1.0D+00 9p3 0.0254334 -0.2391753 6.7771458** 3.47D-01 ED = -0.052335; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0093024 0.8909371** 1.92D-01 < 2s|9s1>=-1.1D-07 < 1s|9s1>=-8.1D-08 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.8D-08 < 1s|9s2>=-1.0D-07 1 0.001342 2 -0.008839 3 0.225314 4 -0.615184 5 0.060555 6 -0.571528 7 -0.079326 8 0.077723 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.81D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 1.49553E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.37728E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.69590E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.19989E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.48529E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.46974E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.44372E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.02361E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2452302 0.4830718 1.0222137 c 1.41D-03 ED = -84.222020; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01109724619.5555424** 4.53D-01 ED = -0.220708; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 3.3D-01 < 1s|9s1>=-1.6D-01 9s1 0.0000308 0.0364302 240.2470848** 1.79D-01 ED = -0.153663; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1641641 1.0507050** 1.24D-01 ED = -0.031166; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-4.0D-02 9p2 0.0000308 -0.0276228 5.0041936** 2.45D-01 ED = -0.021682; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.0D-02 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 6.8D-03 9s2 0.0000308 -0.0647506 647.4539501** 1.85D-01 ED = -0.023590; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-4.3D-01 9d2 0.0000308 -0.0191255 2.1783515** 1.62D-01 ED = -0.081372; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.5D-01 9p3 0.0000308 -0.2459327 10.0587572** 7.60D-01 9f1 0.0323382 -0.0175041 0.6820597** 2.75D-01 < 2s|9s1>=-4.8D-06 < 1s|9s1>=-3.6D-06 < 2s|9s2>= 1.0D-07 <3sh|9s2>= 2.0D-08 < 1s|9s2>= 7.5D-08 1 0.013358 2 0.073823 3 0.332923 4 0.090971 5 -0.058078 6 0.225109 7 -0.339329 8 0.020007 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 1.50D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-1.88338E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.31773E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.40004E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.36902E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.36010E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.75049E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.66197E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.82059E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2415948 0.4763576 0.9861008 c 1.50D-02 9p1 8.5201577 -0.4760818 4.9685040** 4.42D-01 ED = -0.156171; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-4.8D-01 < 1s|9s1>= 2.1D-01 9s1 0.0000308 -0.1109171 14.0918742** 2.88D-01 ED = -0.174991; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1952358 0.6188798** 7.23D-02 ED = -0.028111; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 2.3D-01 9p2 0.0000308 0.0850015 10.4119455** 2.40D-01 ED = -0.023092; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.3D-02 <3sh|9s2>= 2.7D-01 < 1s|9s2>= 4.4D-03 9s2 0.0000308 0.0336590 132.7749200** 1.79D-01 ED = -0.031278; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.1D-01 9d2 0.0000308 0.1142659 0.7159086** 3.23D-01 ED = -0.029509; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 3.5D-01 9p3 0.0000308 -0.0185833 0.8595454** 2.53D-01 9f1 0.3329355 -0.0352457 0.8970345** 2.40D-01 < 2s|9s1>= 3.9D-06 < 1s|9s1>= 2.9D-06 < 2s|9s2>=-1.3D-07 <3sh|9s2>=-2.7D-08 < 1s|9s2>=-1.0D-07 1 -0.000765 2 -0.288018 3 0.265774 4 -0.237535 5 0.006910 6 0.175290 7 0.615209 8 0.037309 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 8.57D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 4.29417E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.37938E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.19464E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-9.29824E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.88789E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.18113E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.97217E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.43190E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2213832 0.4895344 1.0276616 c 9.13D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01029857156.7589812** 5.66D-01 ED = -0.171690; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 3.6D-01 < 1s|9s1>=-1.7D-01 9s1 0.0000308 0.0875670 15.2899595** 2.80D-01 ED = -0.184990; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1864461 0.8205618** 4.90D-02 ED = -0.024520; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-6.1D-01 9p2 0.0000308 -0.1230541 4.6824612** 3.91D-01 < 2s|9s2>= 8.8D-01 <3sh|9s2>=-1.6D-01 < 1s|9s2>=-4.0D-01 9s2 0.0688251 0.6359981 920.0355186** 4.16D-01 ED = -0.019985; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-3.5D-01 9d2 0.0000308 0.1016763 1.1471425** 2.36D-01 ED = -0.027851; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-5.2D-01 9p3 0.0000308 -0.0155925 0.4700592** 3.59D-01 ED = -0.312475; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0128574 1.7789700** 4.41D-01 < 2s|9s1>=-2.1D-06 < 1s|9s1>=-1.6D-06 < 2s|9s2>=-7.3D-06 <3sh|9s2>=-1.5D-06 < 1s|9s2>=-5.4D-06 1 -0.013694 2 0.081267 3 0.279513 4 0.002676 5 -0.069088 6 0.245468 7 -1.300059 8 0.054237 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 2.21D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-1.89534E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.97681E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.69721E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.17056E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.12183E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.26607E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.45989E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.63957E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2357088 0.4777358 0.9758983 c 6.08D-02 9p1 9.3048382 0.4979616 4.5185359** 4.36D-01 ED = -0.149045; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.7D-01 < 1s|9s1>= 1.5D-01 9s1 0.0000308 -0.1071154 31.2185511** 2.79D-01 ED = -0.185203; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1872557 0.7542357** 9.67D-02 ED = -0.020394; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.7D-01 9p2 0.0000308 -0.0027868 355.9464018** 1.58D-01 ED = -0.061339; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-9.8D-03 <3sh|9s2>=-3.7D-02 < 1s|9s2>= 6.0D-03 9s2 0.0000308 -0.0215449 134.5778399** 4.84D-01 ED = -0.034415; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-3.3D-01 9d2 0.0000308 0.0601194 1.4032689** 1.86D-01 ED = -0.029925; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.5D-01 9p3 0.0000308 0.1348685 0.7147243** 4.34D-01 9f1 0.1620978 -0.0072902 2.0337595** 2.92D-01 < 2s|9s1>= 2.0D-06 < 1s|9s1>= 1.5D-06 < 2s|9s2>= 3.1D-09 <3sh|9s2>= 6.2D-10 < 1s|9s2>= 2.3D-09 1 -0.001144 2 -0.089084 3 0.255525 4 -0.289423 5 -0.004882 6 0.434099 7 0.289748 8 -0.034616 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 5.64D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 1.56377E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.40923E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.78526E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.51510E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.15051E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.38642E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.29064E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.74559E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2422926 0.4765566 0.9975317 c 2.72D-02 9p1 552.2250331 0.8209576 1.0021916** 6.09D-02 ED = -0.158624; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.5D-02 9s1 0.0000308 0.0500765 43.4769314** 2.11D-01 ED = -0.178593; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2238536 0.6730607** 1.18D-01 ED = -0.032674; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.3D-02 9p2 0.0000308 0.0161711 10.6729761** 2.55D-01 ED = -0.038274; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.8D-02 <3sh|9s2>=-3.2D-01 < 1s|9s2>= 1.5D-02 9s2 0.0000308 -0.10094682246.7587002** 9.07D-02 ED = -0.023289; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-3.9D-01 9d2 0.0000308 0.0361444 1.2258643** 1.36D-01 ED = -0.011497; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 7.8D-01 9p3 0.0000308 0.1639022 1.8523240** 3.86D-01 ED = -0.014173; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0022912 9.6012429** 3.79D-01 < 2s|9s1>=-1.3D-06 < 1s|9s1>=-9.5D-07 < 2s|9s2>= 9.1D-08 <3sh|9s2>= 1.8D-08 < 1s|9s2>= 6.7D-08 1 -0.008420 2 0.011870 3 0.188961 4 0.345015 5 -0.092054 6 1.285272 7 -0.481066 8 0.696299 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.12D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-1.24091E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.18362E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.76307E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 8.60024E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.44434E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.25243E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.38806E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.38633E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2537499 0.4719501 0.9903339 c 4.52D-02 9p1 75.3154078 0.7135335 1.0053586** 6.43D-02 ED = -0.092610; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 7.1D-02 < 1s|9s1>=-3.4D-02 9s1 0.0000308 0.0188668 489.4718730** 7.73D-02 ED = -0.180047; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0641958 2.8270853** 4.48D-01 ED = -0.030022; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.1D-02 9p2 0.0000308 -0.0036872 19.1693168** 2.00D-01 ED = -0.021618; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.5D-02 <3sh|9s2>=-2.6D-01 < 1s|9s2>= 1.2D-02 9s2 0.0000308 -0.0885345 108.3728949** 8.79D-02 ED = -0.024743; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 3.8D-01 9d2 0.0000308 0.0481061 0.3931151** 2.89D-01 ED = -0.028664; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.2D-01 9p3 0.0000308 0.0801978 1.9057550** 4.37D-01 9f1 0.0001613 -0.0011468 1.4807062** 5.95D-02 < 2s|9s1>=-3.3D-07 < 1s|9s1>=-2.4D-07 < 2s|9s2>= 6.0D-08 <3sh|9s2>= 1.2D-08 < 1s|9s2>= 4.5D-08 1 -0.036493 2 -0.016220 3 -1.072304 4 0.257951 5 -0.010441 6 0.894011 7 -0.287839 8 -0.700921 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 3.71D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 9.41890E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.42970E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.14522E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 7.10584E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.54230E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.15506E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.86880E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.26979E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1134087 0.4666183 0.9887026 c 1.24D+00 9p1 17.0542612 0.5309940 1.0134538** 6.90D-02 ED = -0.153832; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 5.5D-01 < 1s|9s1>=-4.0D-01 9s1 0.0000308 -0.3636631 34.9046506** 4.41D-01 ED = -0.170295; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0603994 0.5979092** 3.19D-01 ED = -0.030888; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 3.0D-02 9p2 0.0000308 0.0253084 23.0831486** 2.03D-01 ED = -0.067039; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.5D-03 <3sh|9s2>= 2.6D-01 < 1s|9s2>=-9.2D-04 9s2 0.0000308 0.04629171183.3475041** 1.70D-01 ED = -0.039385; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-2.8D-01 9d2 0.0000308 0.0437102 0.4601924** 2.65D-01 ED = -0.084263; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.9D-01 9p3 0.0000308 0.1720069 5.0624158** 5.85D-01 ED = -0.002317; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0006641 1.4754466** 5.95D-02 < 2s|9s1>= 2.5D-06 < 1s|9s1>= 1.8D-06 < 2s|9s2>=-1.0D-07 <3sh|9s2>=-2.0D-08 < 1s|9s2>=-7.4D-08 1 -0.003116 2 -0.372347 3 0.583424 4 0.775541 5 0.145579 6 2.371686 7 0.236884 8 0.571476 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.24D+00 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) = 5.28681E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.08420E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.94052E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.04747E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.84891E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.53305E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61836E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-8.64344E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2104303 0.4493878 0.9630736 c 4.61D-01 9p1 204.8453518 0.8475241 1.0099666** 7.19D-02 ED = -0.188582; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.0D-01 < 1s|9s1>= 9.5D-02 9s1 0.0000308 -0.0702279 26.2854207** 3.60D-01 ED = -0.176678; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0500787 1.0596482** 2.91D-01 ED = -0.030805; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-6.7D-02 9p2 0.0000308 -0.0218164 17.3522851** 2.05D-01 ED = -0.018242; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.6D-02 <3sh|9s2>= 3.1D-01 < 1s|9s2>=-1.0D-02 9s2 0.0000308 0.0829192 149.8653048** 9.32D-02 ED = -0.027547; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.2D-01 9d2 0.0000308 0.0534819 0.1842381** 1.35D-01 ED = -0.009982; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 2.1D-02 9p3 0.0000308 0.0234257 5.5065967** 1.48D-01 ED = -0.007065; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0007306 2.4331413** 1.39D-01 < 2s|9s1>= 6.2D-07 < 1s|9s1>= 4.6D-07 < 2s|9s2>=-8.6D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.4D-08 1 -0.043912 2 -0.010562 3 -0.447333 4 -0.058919 5 0.021962 6 1.387967 7 -0.053512 8 -0.061950 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.61D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 1.34642E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.64120E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.67654E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-3.12327E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.44158E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-9.79193E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.29196E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.17396E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1993678 0.4737216 1.0541487 c 5.55D-02 9p1 13.8373180 0.5121957 1.0160741** 6.63D-02 ED = -0.152218; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 3.5D-01 < 1s|9s1>=-2.0D-01 9s1 0.0000308 -0.0444463 133.5104726** 2.17D-01 ED = -0.171150; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1958682 0.4024371** 6.29D-01 ED = -0.033877; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-7.7D-03 9p2 0.0000308 0.0060332 77.9216706** 1.44D-01 ED = -0.000643; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.3D-01 <3sh|9s2>=-2.1D-01 < 1s|9s2>=-6.0D-02 9s2 0.0000308 0.0895419 67.3439217** 1.57D-01 ED = -0.038685; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-4.7D-01 9d2 0.0000308 0.1296111 0.0896154** 2.11D-01 <2ph|9p3>= 9.9D-01 9p3 0.0135256 0.2073040 35.3001381** 4.32D-01 9f1 0.0316033 0.0017113 4.9313969** 2.35D-01 < 2s|9s1>= 4.5D-06 < 1s|9s1>= 3.3D-06 < 2s|9s2>= 5.1D-09 <3sh|9s2>= 1.0D-09 < 1s|9s2>= 3.8D-09 1 0.006074 2 0.155534 3 -0.240137 4 0.021415 5 -0.036831 6 0.195759 7 0.434607 8 -0.504811 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 2.93D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-8.33682E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.60859E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.44138E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.98912E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.90847E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.01059E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61157E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.76915E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2326097 0.4803701 1.0140347 c 1.43D-01 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0122863 909.0129298** 5.94D-01 ED = -0.159862; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.0D-01 < 1s|9s1>= 8.5D-02 9s1 0.0000308 -0.0563470 48.0456271** 1.95D-01 ED = -0.186523; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1051648 1.5301379** 2.29D-01 ED = -0.036580; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.9D-01 9p2 0.0000308 0.0143303 56.4922138** 1.56D-01 ED = -0.028671; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.7D-02 <3sh|9s2>= 2.2D-01 < 1s|9s2>= 1.0D-02 9s2 0.0000308 -0.0043695 136.5737853** 1.61D-01 ED = -0.017752; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-2.2D-01 9d2 0.0000308 0.0500019 2.3669932** 2.55D-01 ED = -0.025213; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 7.4D-01 9p3 0.0000308 0.1628126 2.0541139** 3.10D-01 ED = -0.033497; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0039163 0.5328578** 1.36D-01 < 2s|9s1>= 9.2D-07 < 1s|9s1>= 6.8D-07 < 2s|9s2>= 6.2D-07 <3sh|9s2>= 1.3D-07 < 1s|9s2>= 4.6D-07 1 0.027292 2 0.008539 3 -0.962533 4 0.105368 5 0.023042 6 0.592822 7 -0.730220 8 -0.393579 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.43D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-1.71264E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.35383E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.78418E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-3.72678E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.18703E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-9.04861E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.80905E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.17535E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3232604 0.4735183 0.9857363 c 2.80D-01 9p1 4.5173230 -0.3891653 4.1611871** 4.43D-01 ED = -0.380217; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 6.2D-02 < 1s|9s1>=-3.5D-02 9s1 0.0000308 0.0017779 935.7552875** 1.77D-01 ED = -0.172470; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0739830 0.4971408** 1.04D-01 ED = -0.031559; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 4.3D-02 9p2 0.0000308 0.0636636 13.2637341** 3.05D-01 ED = -0.010215; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-4.4D-03 <3sh|9s2>=-4.7D-01 < 1s|9s2>= 2.3D-03 9s2 0.0000308 -0.0894293 189.4418181** 2.30D-01 ED = -0.027404; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.8D-01 9d2 0.0000308 0.0371027 0.9290214** 2.16D-01 ED = -0.026102; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 5.8D-01 9p3 0.0000308 0.0933218 0.4599470** 3.88D-01 9f1 0.0065371 0.0015807 1.0182093** 8.56D-02 < 2s|9s1>=-2.6D-06 < 1s|9s1>=-1.9D-06 < 2s|9s2>= 2.5D-07 <3sh|9s2>= 5.0D-08 < 1s|9s2>= 1.8D-07 1 0.055154 2 0.006743 3 2.245044 4 -0.123198 5 -0.247102 6 -1.706364 7 -0.159423 8 0.850059 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 2.83D-01 *** CALCULATIONS FOR k^2 = 0.9000 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 0.099219 2 -0.071990 3 4.278774 4 2.152796 5 2.449397 6 3.389808 7 1.932729 8 0.650231 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 2.60888E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.86434E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.08320E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.46427E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.81044E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-8.79469E-02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.35254E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.10265E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 110points in CSOLVE. End of range: 16.651494963610 au. kpc -0.0703275 0.3998793 0.8444853 c 5.60D+00 9p1 5.4275091 -0.3781449 1.1214188** 2.19D-01 ED = -0.128144; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.5D-01 < 1s|9s1>= 5.7D-02 9s1 0.0000308 -0.0685425 258.7538321** 1.91D-01 ED = -0.149873; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0568873 0.1246291** 3.98D-01 ED = -0.012783; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-4.4D-02 9p2 0.0000308 -0.0185303 2.9622394** 2.00D-01 ED = -0.002597; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.4D-02 <3sh|9s2>= 3.0D-01 < 1s|9s2>=-1.4D-02 9s2 0.0000308 0.0836911 34.7450802** 2.42D-01 ED = -0.018154; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-5.9D-01 9d2 0.0000308 -0.0031220 0.8612911** 1.73D-01 ED = -0.020549; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.1D-01 9p3 0.0000308 -0.1751813 13.6430132** 4.52D-01 9f1 0.1218399 0.0000903 1.2219385** 2.65D-01 < 2s|9s1>= 4.1D-07 < 1s|9s1>= 3.0D-07 < 2s|9s2>=-1.1D-07 <3sh|9s2>=-2.2D-08 < 1s|9s2>=-8.1D-08 1 -0.155693 2 -0.361146 3 5.099818 4 -0.064483 5 2.319324 6 -0.454587 7 -10.486517 8 -0.033104 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.60D+00 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-1.09243E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.47268E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.93439E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.69530E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.95590E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-7.20362E-02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.06753E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.22008E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.6256923 0.5186506 1.2970181 c 1.11D+00 ED = -3.506428; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0090183 62.7208575** 5.60D-01 ED = -0.141161; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.0D-01 < 1s|9s1>=-4.4D-02 9s1 0.0000308 0.0279979 299.1993216** 1.87D-01 ED = -0.152314; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0375445 0.2747522** 4.30D-01 ED = -0.043095; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.7D-03 9p2 0.0000308 0.0377478 453.5761476** 1.59D-01 ED = -0.007689; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.1D-02 <3sh|9s2>=-1.2D-01 < 1s|9s2>= 5.4D-03 9s2 0.0000308 -0.0304028 40.3389503** 1.60D-01 <3dh|9d2>= 4.4D-01 9d2 0.0212094 0.0075465 1.5346428** 2.75D-01 ED = -0.008489; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.5D-01 9p3 0.0000308 -0.1825833 5.3146263** 4.47D-01 9f1 12.9287084 0.0008863 1.0190584** 8.12D-02 < 2s|9s1>=-4.8D-07 < 1s|9s1>=-3.6D-07 < 2s|9s2>= 5.0D-08 <3sh|9s2>= 1.0D-08 < 1s|9s2>= 3.8D-08 1 -0.062864 2 0.027985 3 -0.484058 4 -0.499675 5 -0.042094 6 0.161758 7 -0.116611 8 0.051916 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 4.69D+00 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-4.36663E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.75959E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.66668E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87523E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.48841E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.32563E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.33699E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.27009E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1423600 0.4740132 0.9139355 c 3.40D+00 9p1 0.9745546 0.1828465 5.4926028** 5.20D-01 ED = -0.179336; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.0D-01 < 1s|9s1>= 8.4D-02 9s1 0.0000308 -0.0511772 351.0456194** 1.71D-01 ED = -0.146626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1907265 0.4796715** 7.45D-01 ED = -0.008218; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-5.5D-01 9p2 0.0000308 -0.1125094 0.9074361** 3.61D-01 ED = -0.026735; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 6.8D-03 <3sh|9s2>= 2.8D-01 < 1s|9s2>=-6.1D-03 9s2 0.0000308 0.0595196 785.7154830** 1.57D-01 ED = -0.091926; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 3.1D-01 9d2 0.0000308 0.0223068 4.3433799** 3.03D-01 ED = -0.066261; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.9D-01 9p3 0.0000308 -0.2003740 30.7116715** 5.00D-01 ED = -0.546607; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0019181 3.1570753** 5.10D-01 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.1D-07 < 2s|9s2>=-1.0D-07 <3sh|9s2>=-2.1D-08 < 1s|9s2>=-7.6D-08 1 0.060195 2 -0.063156 3 -0.272502 4 0.296099 5 0.117648 6 -0.319963 7 -0.316426 8 0.194165 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.40D+00 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 2.30399E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 6.93632E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.97907E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.08266E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.98077E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.07151E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.72321E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.48148E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1777270 0.4678478 0.9869931 c 1.99D-01 ED = -11.298755; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0190863 69.9100953** 6.19D-01 ED = -0.120283; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-8.5D-02 9s1 0.0000308 0.0719062 136.7689085** 1.89D-01 ED = -0.193357; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1772395 0.8729638** 7.65D-02 ED = -0.008623; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 3.7D-02 9p2 0.0000308 -0.0048063 7.8407072** 1.03D-01 ED = -0.011782; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.2D-02 <3sh|9s2>=-3.1D-01 < 1s|9s2>=-1.2D-02 9s2 0.0000308 -0.0278949 33.7131492** 1.97D-01 ED = -0.013574; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.8D-02 9d2 0.0000308 -0.0360274 1.8663025** 1.36D-01 ED = -0.012060; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-5.6D-01 9p3 0.0000308 -0.1192275 2.3984302** 3.25D-01 ED = -0.033110; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0030199 1.3538788** 1.37D-01 < 2s|9s1>=-8.5D-07 < 1s|9s1>=-6.3D-07 < 2s|9s2>= 2.7D-07 <3sh|9s2>= 5.4D-08 < 1s|9s2>= 2.0D-07 1 0.029395 2 0.047733 3 -0.276212 4 -0.815325 5 -0.617778 6 -0.594386 7 -0.454062 8 0.820253 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.99D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-2.98657E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-8.40230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.48197E-04 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.22059E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.44255E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.71462E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.76456E-04 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58685E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2447297 0.4672819 0.9987904 c 2.74D-01 9p1 5.0061752 -0.3877260 3.6221595** 4.27D-01 ED = -0.125722; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.6D-01 < 1s|9s1>= 6.9D-02 9s1 0.0000308 -0.0423227 131.9547755** 1.70D-01 ED = -0.157956; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0804666 1.7625949** 2.97D-01 ED = -0.011009; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 6.4D-03 9p2 0.0000308 0.0063403 6.1795871** 1.91D-01 ED = -0.006645; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.3D-02 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 1.2D-02 9s2 0.0000308 -0.0869559 29.5214729** 9.40D-02 <3dh|9d2>= 4.0D-01 9d2 0.0111317 -0.0419206 0.9336514** 1.30D-01 <2ph|9p3>= 9.2D-01 9p3 0.0098880 0.1985085 1.5797541** 4.14D-01 ED = -0.010974; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0021239 0.6025595** 6.11D-02 < 2s|9s1>= 8.7D-07 < 1s|9s1>= 6.5D-07 < 2s|9s2>= 8.2D-08 <3sh|9s2>= 1.7D-08 < 1s|9s2>= 6.1D-08 1 -0.212470 2 0.132884 3 -13.307445 4 -0.798239 5 1.763825 6 0.960906 7 -1.654344 8 4.563631 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.74D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-2.56632E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 7.30378E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 6.47269E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-3.03624E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.17665E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.16159E-02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.31972E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.93499E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 1.1223524 0.2772894 0.5934092 c 7.82D-01 ED = -2.095524; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0271459 64.9095061** 4.66D-01 ED = -0.236150; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.2D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 -0.1177380 118.2699366** 1.70D-01 ED = -0.154074; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0004795 0.2623720** 2.56D-01 ED = -0.013560; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 2.0D-01 9p2 0.0000308 0.0395811 11.5266297** 1.95D-01 ED = -0.004407; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-5.0D-02 <3sh|9s2>= 3.0D-01 < 1s|9s2>= 1.9D-02 9s2 0.0000308 0.0224982 13.9202016** 1.88D-01 ED = -0.153854; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 1.3D-01 9d2 0.0000308 0.0104232 3.7161552** 3.18D-01 ED = -0.027153; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.1D-01 9p3 0.0000308 0.1767181 14.0754056** 4.43D-01 ED = -0.018123; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0002875 1.1511206** 1.15D-01 < 2s|9s1>= 9.9D-08 < 1s|9s1>= 7.3D-08 < 2s|9s2>=-5.2D-08 <3sh|9s2>=-1.1D-08 < 1s|9s2>=-3.9D-08 1 0.042914 2 -0.100944 3 0.075702 4 0.199631 5 -0.352238 6 0.491211 7 -1.287223 8 0.604588 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 3.41D+00 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) = 7.35668E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.91913E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.31874E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.43367E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.60464E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.45548E-02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.59700E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.94492E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2665821 0.4584281 1.6532479 c 3.21D+00 ED = -0.436038; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0159646 137.8962158** 1.95D-01 ED = -0.023098; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.7D-01 < 1s|9s1>= 5.2D-02 9s1 0.0000308 -0.1091669 355.4460421** 1.81D-01 ED = -0.022763; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0586850 8.5338929** 2.33D-01 ED = -0.012587; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.9D-01 9p2 0.0000308 0.0244250 10.9795986** 2.52D-01 ED = -0.005160; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.1D-01 <3sh|9s2>= 7.7D-02 < 1s|9s2>=-1.0D-01 9s2 0.0000308 -0.0136023 15.5096051** 1.41D-01 ED = -0.004667; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 6.2D-01 9d2 0.0000308 0.0324674 1.6780822** 2.41D-01 ED = -0.004930; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 6.1D-01 9p3 0.0000308 0.0928953 1.1244398** 2.91D-01 ED = -0.010971; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0031997 0.6064842** 1.71D-01 < 2s|9s1>= 3.7D-07 < 1s|9s1>= 2.8D-07 < 2s|9s2>= 6.0D-07 <3sh|9s2>= 1.2D-07 < 1s|9s2>= 4.4D-07 1 -0.008628 2 -0.042008 3 -0.842182 4 -0.149775 5 0.115799 6 1.390573 7 0.834778 8 1.455667 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.21D+00 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 3.25030E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 8.92588E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.15268E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.95499E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.68461E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.85867E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.42045E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.35197E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1149269 0.4689363 1.0229221 c 1.32D+00 ED = -13.268391; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0139707 540.2683530** 4.61D-01 ED = -0.193876; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.2D-01 < 1s|9s1>=-8.9D-02 9s1 0.0000308 -0.0665338 133.6916704** 1.55D-01 ED = -0.156370; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0507241 0.9545339** 3.07D-01 ED = -0.001498; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.8D-03 9p2 0.0000308 0.0032735 28.8788587** 1.89D-01 ED = -0.007021; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.3D-03 <3sh|9s2>=-2.0D-01 < 1s|9s2>= 4.0D-03 9s2 0.0000308 -0.0299260 102.4278097** 8.17D-02 ED = -0.014384; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-4.5D-02 9d2 0.0000308 0.0110656 1.3025113** 8.99D-02 ED = -0.009277; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-4.6D-01 9p3 0.0000308 -0.0149437 1.0348266** 2.55D-01 ED = -0.007666; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0007542 0.8718882** 4.91D-02 < 2s|9s1>= 3.0D-07 < 1s|9s1>= 2.2D-07 < 2s|9s2>= 8.8D-08 <3sh|9s2>= 1.8D-08 < 1s|9s2>= 6.6D-08 1 -0.010813 2 0.066716 3 0.697154 4 -0.091334 5 -0.145780 6 -0.614246 7 0.267952 8 -0.507014 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.32D+00 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-1.99475E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-7.09199E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.09223E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.99699E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.80802E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.82181E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.19588E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.06413E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0885290 0.4668099 0.9954655 c 2.98D-01 9p1 12.6107796 0.5035432 4.4809870** 3.95D-01 ED = -0.148689; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.8D-01 < 1s|9s1>= 1.3D-01 9s1 0.0000308 -0.0420924 71.4133366** 1.91D-01 ED = -0.149316; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1202286 0.5357421** 5.36D-01 ED = -0.009155; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.6D-01 9p2 0.0000308 -0.0567692 27.2563198** 1.40D-01 ED = -0.006254; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-3.6D-02 <3sh|9s2>= 3.3D-01 < 1s|9s2>= 1.7D-02 9s2 0.0000308 0.0341723 49.8044530** 1.69D-01 ED = -0.005608; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 2.6D-01 9d2 0.0000308 -0.0228896 1.1111698** 9.13D-02 ED = -0.038294; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.4D-01 9p3 0.0000308 0.1628752 7.7557028** 3.28D-01 ED = -0.000141; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0006814 1.1613365** 4.62D-02 < 2s|9s1>= 2.8D-06 < 1s|9s1>= 2.0D-06 < 2s|9s2>=-1.2D-07 <3sh|9s2>=-2.5D-08 < 1s|9s2>=-9.3D-08 1 0.015833 2 -0.104366 3 0.609969 4 0.409134 5 0.171305 6 1.844474 7 -0.134256 8 0.464885 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 3.74D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 1.46774E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.21367E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.09790E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.24424E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.10726E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.47106E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.59882E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-8.05056E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2143788 0.4649470 0.9960093 c 5.87D-01 ED = -41.247735; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0210450 258.6561524** 6.09D-01 ED = -0.113775; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.7D-01 < 1s|9s1>=-1.0D-01 9s1 0.0000308 0.1048535 67.1803450** 2.23D-01 ED = -0.166596; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1276290 0.5634340** 1.42D-01 ED = -0.010775; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 5.7D-02 9p2 0.0000308 0.0199006 14.2874844** 1.21D-01 ED = -0.007722; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.2D-02 <3sh|9s2>=-3.2D-01 < 1s|9s2>=-6.2D-03 9s2 0.0000308 -0.0572304 74.0278485** 2.06D-01 ED = -0.010351; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 2.2D-02 9d2 0.0000308 0.0154679 0.5973783** 1.04D-01 <2ph|9p3>= 9.6D-01 9p3 0.0005274 0.1655648 15.6427894** 4.54D-01 ED = -0.006242; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0003817 2.9890616** 7.42D-02 < 2s|9s1>=-9.6D-07 < 1s|9s1>=-7.1D-07 < 2s|9s2>= 1.1D-07 <3sh|9s2>= 2.3D-08 < 1s|9s2>= 8.4D-08 1 -0.000840 2 0.049157 3 0.507075 4 -0.088446 5 -0.208324 6 -0.427309 7 -0.045645 8 -0.054110 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.87D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-2.86273E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-8.07921E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.00423E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.76338E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.91074E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.05325E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.39124E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.89466E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2493490 0.4674417 1.0053657 c 1.40D-01 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01507866137.7863094** 5.15D-01 ED = -0.127226; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.7D-01 < 1s|9s1>= 1.6D-01 9s1 0.0000308 -0.0780343 36.7237816** 2.34D-01 ED = -0.153519; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2046239 0.3946217** 2.09D-01 ED = -0.006140; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-2.0D-01 9p2 0.0000308 -0.0543128 9.1428831** 1.64D-01 ED = -0.006767; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.8D-02 <3sh|9s2>= 2.9D-01 < 1s|9s2>= 8.1D-03 9s2 0.0000308 0.0342927 24.6020029** 1.98D-01 ED = -0.008345; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.2D-02 9d2 0.0000308 -0.0897147 0.3720948** 2.22D-01 ED = -0.036267; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-8.4D-01 9p3 0.0000308 -0.1691893 37.7485094** 3.91D-01 ED = -0.000901; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0009013 5.3152856** 6.55D-02 < 2s|9s1>= 2.7D-06 < 1s|9s1>= 2.0D-06 < 2s|9s2>=-1.5D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 -0.002826 2 -0.117516 3 0.229166 4 0.581053 5 0.164703 6 -0.318300 7 0.633024 8 0.088651 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.40D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 1.15182E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.37203E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.44620E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.55934E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.43978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.33095E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.93714E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.30420E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2297868 0.4733527 1.0126453 c 8.51D-02 9p1 46.2387446 0.6575090 4.8308498** 4.34D-01 ED = -0.146836; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.3D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0299514 19.3898782** 1.82D-01 ED = -0.146926; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1542846 1.1089253** 1.48D-01 ED = -0.011044; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.6D-01 9p2 0.0000308 0.0847250 2.6246955** 2.40D-01 < 2s|9s2>=-2.1D-02 <3sh|9s2>=-6.2D-01 < 1s|9s2>= 1.4D-02 9s2 0.0007691 -0.1484695 64.9921611** 2.54D-01 ED = -0.009215; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-5.9D-01 9d2 0.0000308 -0.0258247 2.8237371** 1.75D-01 <2ph|9p3>= 7.1D-03 9p3 0.0013664 0.1299834 0.7855604** 1.73D-01 9f1 0.0086206 -0.0048398 2.3121479** 2.42D-01 < 2s|9s1>=-2.4D-06 < 1s|9s1>=-1.8D-06 < 2s|9s2>= 2.7D-07 <3sh|9s2>= 5.4D-08 < 1s|9s2>= 2.0D-07 1 0.010904 2 -0.273611 3 0.089716 4 4.185712 5 18.190314 6 -0.562455 7 4.462017 8 0.461855 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 1.40D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) = 1.06761E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.05719E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.90738E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.88831E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.29276E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.05122E-02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.80370E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.29174E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3455202 0.3524913 0.7446695 c 3.35D-01 ED = -57.174014; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00882243038.1597255** 4.71D-01 ED = -0.164994; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.5D-01 < 1s|9s1>= 7.0D-02 9s1 0.0000308 -0.0308171 237.2264091** 1.31D-01 ED = -0.427358; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0117565 11.0362690** 5.27D-01 ED = -0.011115; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.4D-02 9p2 0.0000308 -0.0108357 12.9180590** 1.90D-01 ED = -0.008791; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 6.4D-03 <3sh|9s2>= 3.3D-01 < 1s|9s2>=-5.8D-03 9s2 0.0000308 0.0758216 12.6723806** 2.82D-01 <3dh|9d2>= 9.4D-01 9d2 0.1580882 -0.0044792 3.0265127** 3.19D-01 ED = -0.051335; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.4D-01 9p3 0.0000308 -0.0284895 11.7575326** 2.66D-01 ED = -0.004485; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0013974 1.8761484** 2.50D-01 < 2s|9s1>= 9.8D-07 < 1s|9s1>= 7.3D-07 < 2s|9s2>=-1.0D-07 <3sh|9s2>=-2.1D-08 < 1s|9s2>=-7.6D-08 1 0.004332 2 0.012534 3 -0.864901 4 -0.070772 5 -0.029253 6 -0.157991 7 0.045918 8 -0.467694 LEAST SELF-CONSISTENT FUNCTION IS 9s2 :WEIGHTED MAXIMUM CHANGE = 5.14D+00 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-1.34342E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.84345E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.33393E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83226E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.55171E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.72816E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.58960E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13199E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1467160 0.4300333 1.2199827 c 1.36D+00 9p1 7.4542103 -0.4024482 18.1466095** 4.58D-01 ED = -0.007473; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.3D-01 < 1s|9s1>=-2.8D-02 9s1 0.0000308 0.1132847 578.7298272** 1.92D-01 ED = -0.140117; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1237549 0.3451202** 5.73D-01 ED = -0.008882; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.5D-01 9p2 0.0000308 -0.0083385 15.0483349** 2.23D-01 < 2s|9s2>=-9.3D-01 <3sh|9s2>= 2.2D-01 < 1s|9s2>= 2.6D-01 9s2 0.0380049 -1.0907145 13.4823728** 3.48D-01 <3dh|9d2>=-4.0D-01 9d2 0.0080059 -0.0566994 1.6063895** 2.18D-01 ED = -0.004420; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.7D-01 9p3 0.0000308 -0.1860124 205.2190284** 4.08D-01 ED = -0.048059; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0010880 0.6447268** 2.55D-01 < 2s|9s1>=-1.9D-07 < 1s|9s1>=-1.4D-07 < 2s|9s2>= 7.1D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.3D-06 1 -0.009889 2 0.013187 3 -0.439684 4 0.564261 5 0.044504 6 -0.258011 7 -0.218677 8 -0.471221 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.36D+00 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-9.71426E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.76095E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.74913E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.57817E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.55921E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.84542E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91258E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.80314E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2424851 0.4744253 1.1032293 c 3.95D-01 ED = -64.522580; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0120734 596.7592340** 5.49D-01 ED = -0.129754; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.0D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 0.0361018 257.8853569** 1.90D-01 ED = -0.137195; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1298056 0.7180713** 1.20D-01 ED = -0.011042; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.2D-01 9p2 0.0000308 0.0281378 1.5562687** 2.50D-01 ED = -0.063217; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-9.0D-03 <3sh|9s2>=-2.6D-01 < 1s|9s2>= 6.3D-03 9s2 0.0000308 -0.0597034 731.9384792** 5.89D-01 <3dh|9d2>=-6.3D-01 9d2 0.0128954 -0.0556173 1.4316053** 2.55D-01 ED = -0.073618; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-8.3D-01 9p3 0.0000308 -0.2535271 2.5812083** 5.61D-01 ED = -0.009855; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0034056 0.4693018** 1.01D-01 < 2s|9s1>=-1.6D-06 < 1s|9s1>=-1.2D-06 < 2s|9s2>= 9.9D-08 <3sh|9s2>= 2.0D-08 < 1s|9s2>= 7.4D-08 1 -0.006675 2 -0.046191 3 -0.474855 4 -0.703468 5 0.119203 6 -0.250353 7 -0.215348 8 -0.578275 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.95D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 3.07499E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 8.67987E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.36715E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.65842E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.37241E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.86600E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.22670E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.86662E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2588707 0.4685822 0.9876838 c 6.33D-02 9p1 17.3943149 0.5632445 5.1888313** 4.33D-01 ED = -0.122227; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 6.8D-01 < 1s|9s1>=-2.8D-01 9s1 0.0000308 0.2058375 19.1853356** 3.52D-01 ED = -0.157924; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1238582 0.6595527** 4.54D-02 ED = -0.010969; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.1D-01 9p2 0.0000308 -0.0421837 2.7272791** 2.35D-01 < 2s|9s2>=-1.7D-02 <3sh|9s2>=-8.3D-01 < 1s|9s2>= 9.1D-03 9s2 0.0064284 -0.2064961 29.6683855** 2.48D-01 <3dh|9d2>=-6.1D-01 9d2 0.0281240 -0.0530692 1.3743991** 2.08D-01 <2ph|9p3>=-7.5D-01 9p3 0.0452906 -0.2923075 1.3569688** 3.32D-01 ED = -0.015532; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0037169 0.3439698** 4.40D-02 < 2s|9s1>=-6.1D-06 < 1s|9s1>=-4.6D-06 < 2s|9s2>= 5.2D-07 <3sh|9s2>= 1.1D-07 < 1s|9s2>= 3.9D-07 1 0.001272 2 -0.936412 3 -0.448750 4 -0.168846 5 -0.420903 6 -0.342993 7 0.147672 8 -0.303721 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 1.66D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) = 2.83038E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.78319E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.54580E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.48980E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62779E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.58465E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.14885E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.48344E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3196995 0.4257258 0.9085402 c 1.90D-01 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.05337543492.4471041** 5.66D-01 ED = -0.157414; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.9D-01 < 1s|9s1>= 9.0D-02 9s1 0.0000308 -0.0728032 25.0143976** 3.31D-01 ED = -0.101893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1173730 0.7186644** 5.64D-02 <2ph|9p2>= 9.5D-01 9p2 0.0094346 0.1477605 17.1419550** 4.01D-01 ED = -0.020214; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.0D-01 <3sh|9s2>= 3.4D-01 < 1s|9s2>=-8.8D-02 9s2 0.0000308 0.1921987 5.2734159** 3.26D-01 ED = -0.044299; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.5D-01 9d2 0.0000308 -0.0236635 2.7765975** 3.81D-01 ED = -0.307599; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 7.0D-01 9p3 0.0000308 0.2291850 5.2036258** 6.88D-01 ED = -0.010190; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0016652 1.2776372** 1.09D-01 < 2s|9s1>= 5.8D-07 < 1s|9s1>= 4.3D-07 < 2s|9s2>=-4.8D-07 <3sh|9s2>=-9.8D-08 < 1s|9s2>=-3.6D-07 1 0.010460 2 -0.083878 3 -0.677215 4 0.327065 5 3.773156 6 3.154508 7 -1.638822 8 8.182240 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 3.10D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 1.63481E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.19203E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 6.06341E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.39066E-03 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.78542E-04 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.41778E-02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.34152E-04 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.55436E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1372034 0.4799761 1.1274303 c 1.33D+00 9p1 11.2791199 -0.3875452 5.1765865** 4.04D-01 ED = -0.166384; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.6D-01 < 1s|9s1>=-8.0D-02 9s1 0.0000308 0.0097042 171.9164900** 1.87D-01 ED = -0.131739; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0090147 8.2134933** 3.27D-01 ED = -0.031265; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-1.2D-02 9p2 0.0000308 -0.0058639 68.5692639** 2.71D-01 ED = -0.010592; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 5.9D-03 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 2.5D-03 9s2 0.0000308 -0.0453706 9.6487404** 1.93D-01 ED = -0.006815; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 5.6D-02 9d2 0.0000308 0.0033924 3.7592755** 9.09D-02 ED = -0.032836; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.4D-01 9p3 0.0000308 -0.0305029 6.5659839** 2.38D-01 ED = -0.012900; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0004782 0.3072727** 6.76D-02 < 2s|9s1>=-3.4D-06 < 1s|9s1>=-2.5D-06 < 2s|9s2>= 1.0D-07 <3sh|9s2>= 2.1D-08 < 1s|9s2>= 7.7D-08 1 -0.027365 2 0.052341 3 0.074637 4 0.084874 5 -0.161108 6 -0.232093 7 0.009207 8 0.022297 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.33D+00 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-2.65639E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-8.41339E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.01214E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.47820E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.79812E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54282E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.75224E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.17963E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1303737 0.4694144 0.9779954 c 5.24D-02 ED = -24.581836; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0137344 177.5052773** 5.40D-01 ED = -0.143591; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0387749 100.9466612** 1.87D-01 ED = -0.155969; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2040236 2.8509542** 6.48D-01 ED = -0.010271; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 1.5D-01 9p2 0.0000308 0.0792273 11.3607973** 1.85D-01 ED = -0.010717; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.3D-02 <3sh|9s2>= 2.8D-01 < 1s|9s2>= 3.4D-03 9s2 0.0000308 0.0296961 43.1263087** 1.89D-01 ED = -0.008650; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 1.2D-01 9d2 0.0000308 -0.1684277 0.6351031** 5.44D-01 ED = -0.047725; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 6.5D-01 9p3 0.0000308 0.1794404 69.0456736** 3.15D-01 9f1 0.0427073 -0.0225250 2.3029475** 3.93D-01 < 2s|9s1>= 2.1D-06 < 1s|9s1>= 1.6D-06 < 2s|9s2>=-1.8D-07 <3sh|9s2>=-3.7D-08 < 1s|9s2>=-1.4D-07 1 -0.040049 2 -0.029200 3 0.209853 4 2.625556 5 -0.127026 6 -0.044648 7 -0.387578 8 0.106554 LEAST SELF-CONSISTENT FUNCTION IS 9d2 :WEIGHTED MAXIMUM CHANGE = 1.26D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 5.99459E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.42574E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.79414E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 7.17611E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.15614E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.88910E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31433E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13216E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2463983 0.4443602 0.9466267 c 4.71D-01 9p1 3.1853537 0.3672995 3.8210925** 4.35D-01 ED = -0.055270; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 8.3D-01 < 1s|9s1>=-1.8D-01 9s1 0.0000308 0.5827265 18.1047855** 4.28D-01 ED = -0.235646; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1121421 1.5762534** 3.48D-01 ED = -0.011086; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.2D-02 9p2 0.0000308 -0.0552088 1.0360128** 3.24D-01 < 2s|9s2>=-1.4D-01 <3sh|9s2>=-9.2D-01 < 1s|9s2>= 6.9D-02 9s2 0.0226182 -0.3860264 95.4181175** 2.75D-01 <3dh|9d2>= 8.0D-01 9d2 1.9861058 -0.1173811 1.9052201** 3.57D-01 ED = -0.034868; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 6.1D-01 9p3 0.0000308 0.1416789 11.0398796** 3.30D-01 ED = -0.559168; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0014460 7.2927287** 5.03D-01 < 2s|9s1>=-4.8D-06 < 1s|9s1>=-3.6D-06 < 2s|9s2>= 8.5D-07 <3sh|9s2>= 1.7D-07 < 1s|9s2>= 6.3D-07 1 -0.012460 2 -0.193855 3 0.745638 4 0.002617 5 0.118823 6 -0.058945 7 0.265693 8 0.222438 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 8.51D-01 *** CALCULATIONS FOR k^2 = 0.8800 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.013441 2 -0.201950 3 0.635986 4 0.274864 5 0.154857 6 -0.084889 7 -0.279130 8 0.054151 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 8.28478E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.83083E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 8.86199E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.70729E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.03854E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.29983E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.46382E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.43718E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 110points in CSOLVE. End of range: 16.651494963610 au. kpc 0.3098462 0.4533658 1.0202664 c 2.05D-01 9p1 46.1616629 0.7149877 1.0111921** 7.28D-02 ED = -0.123866; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.0D-01 < 1s|9s1>= 8.5D-02 9s1 0.0000308 -0.1202994 21.6009215** 3.94D-01 ED = -0.117039; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2195265 0.2797544** 3.53D-01 <2ph|9p2>=-9.1D-01 9p2 0.0135162 -0.2278255 1.5995839** 3.85D-01 < 2s|9s2>=-2.7D-03 <3sh|9s2>= 9.6D-01 < 1s|9s2>=-2.0D-02 9s2 0.0275946 0.6319837 1.6191032** 3.45D-01 ED = -0.220291; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.8D-01 9d2 0.0000308 -0.0729334 1.6333695** 3.92D-01 <2ph|9p3>=-9.8D-01 9p3 0.0112192 -0.1892079 13.0017093** 4.50D-01 ED = -0.129545; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0013040 1.7746060** 4.50D-01 < 2s|9s1>= 3.5D-07 < 1s|9s1>= 2.6D-07 < 2s|9s2>=-8.8D-07 <3sh|9s2>=-1.8D-07 < 1s|9s2>=-6.5D-07 1 -0.021202 2 -0.020265 3 0.200674 4 0.227437 5 0.124042 6 -0.241250 7 -0.244736 8 0.089454 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 2.25D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 6.93447E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.93940E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.83457E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.71682E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.04960E-04 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.76687E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.43036E-04 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.31037E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2517846 0.4629333 1.0211032 c 2.31D-01 9p1 29.3843952 0.6139488 1.0059870** 4.34D-02 ED = -0.124503; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0106916 173.7408640** 2.01D-01 ED = -0.093644; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1967821 1.0231043** 9.04D-02 <2ph|9p2>= 1.9D-02 9p2 0.0090250 -0.0290736 1.4800527** 1.55D-01 ED = -0.011019; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.2D-02 <3sh|9s2>=-2.7D-01 < 1s|9s2>= 1.5D-02 9s2 0.0000308 -0.0421535 43.2571575** 3.83D-01 <3dh|9d2>=-3.3D-01 9d2 0.0190196 -0.1161131 0.8032478** 2.44D-01 ED = -0.002660; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-5.2D-01 9p3 0.0000308 -0.1124694 3.1647098** 3.25D-01 ED = -0.027315; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0075953 1.3200920** 1.44D-01 < 2s|9s1>=-6.6D-06 < 1s|9s1>=-4.9D-06 < 2s|9s2>= 2.5D-07 <3sh|9s2>= 5.1D-08 < 1s|9s2>= 1.9D-07 1 -0.000724 2 0.079348 3 0.228950 4 0.242990 5 0.253260 6 -0.184838 7 -0.301829 8 0.111170 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.31D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-1.80475E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.15392E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.06227E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.95487E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.64017E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-9.14725E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.31452E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.70504E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2366731 0.4597815 0.9931917 c 6.38D-02 9p1 892.0773546 0.7792327 1.0037042** 1.36D-01 ED = -0.118833; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.0D-01 < 1s|9s1>= 8.9D-02 9s1 0.0000308 -0.0506199 67.8464701** 1.81D-01 ED = -0.136623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1828135 0.9322243** 7.45D-02 <2ph|9p2>= 5.5D-01 9p2 0.0088827 0.0872408 0.9275737** 2.90D-01 < 2s|9s2>= 3.8D-01 <3sh|9s2>=-5.3D-01 < 1s|9s2>=-1.6D-01 9s2 0.0088079 0.5019853 1.2920692** 1.86D-01 <3dh|9d2>=-1.6D-02 9d2 0.0117715 -0.0910491 1.2791334** 9.28D-02 <2ph|9p3>= 8.6D-01 9p3 0.0120433 0.1256316 1.4265364** 3.46D-01 ED = -0.003655; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0075168 1.0580740** 3.64D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.5D-07 < 2s|9s2>= 1.2D-07 <3sh|9s2>= 2.5D-08 < 1s|9s2>= 9.2D-08 1 -0.003493 2 -0.053347 3 0.250028 4 0.194652 5 0.286295 6 -0.215744 7 -0.214999 8 0.116916 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.04D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 2.69263E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 7.56721E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.42803E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.87991E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.16782E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-8.00581E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.42146E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.85230E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2460053 0.4574585 0.9949475 c 3.79D-02 9p1 184.9737021 0.7408151 1.0078368** 1.23D-01 ED = -0.116305; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.9D-02 9s1 0.0000308 0.0497812 69.8498064** 1.76D-01 ED = -0.129810; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1857334 0.8328735** 1.59D-02 <2ph|9p2>= 2.7D-01 9p2 0.0081920 -0.0086048 1.3788649** 1.64D-01 < 2s|9s2>= 4.0D-01 <3sh|9s2>= 7.9D-01 < 1s|9s2>=-1.9D-01 9s2 0.0139720 1.0544026 0.8389701** 3.03D-01 <3dh|9d2>= 1.8D-01 9d2 0.0072739 -0.0938796 1.0102895** 6.60D-02 <2ph|9p3>= 9.0D-01 9p3 0.0180785 0.1335331 1.9024902** 4.23D-01 9f1 0.0017424 -0.0067396 1.0645095** 9.62D-03 < 2s|9s1>=-1.4D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>= 2.6D-07 <3sh|9s2>= 5.2D-08 < 1s|9s2>= 1.9D-07 1 -0.005412 2 0.065373 3 0.247654 4 0.204721 5 0.202077 6 -0.211684 7 -0.198350 8 0.116229 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 9.09D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-2.15492E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.15728E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.93923E-04 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.23582E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.79567E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.12435E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.36313E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.03454E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2481818 0.4590150 1.0034026 c 8.77D-03 9p1 119.2798949 0.7277123 0.9970858** 1.86D-02 ED = -0.119923; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.0460909 58.4169066** 1.84D-01 ED = -0.126738; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1852588 0.8460008** 8.34D-03 <2ph|9p2>= 4.8D-01 9p2 0.0098115 0.0382840 1.1578025** 2.39D-01 < 2s|9s2>= 5.6D-03 <3sh|9s2>=-4.4D-01 < 1s|9s2>= 1.3D-03 9s2 0.0018457 0.0826541 3.8948487** 2.42D-01 <3dh|9d2>= 3.7D-02 9d2 0.0087339 -0.1065494 0.9296953** 3.59D-02 <2ph|9p3>=-1.1D-01 9p3 0.0110932 -0.0770881 1.2457038** 9.91D-02 9f1 0.0104052 -0.0090348 0.8056461** 6.80D-02 < 2s|9s1>= 1.6D-06 < 1s|9s1>= 1.2D-06 < 2s|9s2>=-6.0D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.5D-07 1 -0.003284 2 -0.071951 3 0.249348 4 0.240677 5 0.323584 6 -0.208572 7 -0.244327 8 0.103037 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 4.90D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 1.95925E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.62604E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 7.62768E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.45501E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-9.43331E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-7.08190E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.00118E-04 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.94645E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2451267 0.4600130 1.0021742 c 1.25D-02 9p1 195.9210168 0.7493022 0.9986992** 7.25D-03 ED = -0.120695; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.5D-02 9s1 0.0000308 0.0461384 66.8581341** 1.86D-01 ED = -0.127443; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1878932 0.8319236** 1.60D-02 <2ph|9p2>= 3.8D-01 9p2 0.0094214 -0.0004993 1.2598931** 1.75D-01 < 2s|9s2>= 4.3D-01 <3sh|9s2>= 6.7D-01 < 1s|9s2>=-1.9D-01 9s2 0.0126343 1.1088319 0.6937069** 3.33D-01 <3dh|9d2>= 2.3D-01 9d2 0.0030007 -0.0681719 1.4633745** 1.24D-01 <2ph|9p3>=-9.5D-01 9p3 0.0214600 -0.1996249 4.8192502** 4.76D-01 9f1 0.0144893 -0.0079113 1.0111579** 7.57D-02 < 2s|9s1>=-1.4D-06 < 1s|9s1>=-1.0D-06 <2ph|9p2>= 2.3D-10 < 2s|9s2>= 2.8D-07 <3sh|9s2>= 5.6D-08 < 1s|9s2>= 2.1D-07 1 -0.002795 2 0.068338 3 0.246316 4 0.320933 5 0.257407 6 -0.296881 7 -0.325169 8 0.126381 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.16D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-2.06011E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.94553E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.31176E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-3.23083E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.04387E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-8.93518E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.35091E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.70489E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2461234 0.4603444 1.0007204 c 4.05D-03 9p1 230.3448322 0.7582311 1.0002712** 2.57D-03 ED = -0.119756; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.0D-01 < 1s|9s1>= 9.1D-02 9s1 0.0000308 -0.0462484 81.1988196** 1.87D-01 ED = -0.127578; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1863692 0.8555930** 2.66D-02 <2ph|9p2>= 2.6D-01 9p2 0.0100944 -0.0214386 1.3584647** 1.39D-01 < 2s|9s2>=-4.3D-03 <3sh|9s2>=-4.5D-01 < 1s|9s2>= 5.1D-03 9s2 0.0026926 0.1000316 2.7500665** 1.94D-01 <3dh|9d2>= 9.8D-03 9d2 0.0096839 -0.0787360 0.9296844** 2.52D-02 <2ph|9p3>=-6.8D-01 9p3 0.0115492 -0.1406411 1.7584809** 3.30D-01 9f1 0.0071532 -0.0052953 1.2430807** 6.47D-02 < 2s|9s1>= 1.3D-06 < 1s|9s1>= 9.4D-07 < 2s|9s2>=-6.3D-07 <3sh|9s2>=-1.3D-07 < 1s|9s2>=-4.7D-07 1 -0.003009 2 -0.072259 3 0.249314 4 0.502393 5 0.409139 6 -0.331023 7 -0.482959 8 0.179507 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.07D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 1.94267E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.61724E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.34834E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.91690E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.31549E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.65793E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.23165E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.02425E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2465032 0.4617246 1.0029982 c 1.54D-03 9p1 213.9333424 0.7489793 1.0002612** 3.35D-03 ED = -0.120053; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.9D-01 < 1s|9s1>=-8.3D-02 9s1 0.0000308 0.0441888 100.4708182** 1.88D-01 ED = -0.127390; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1629906 0.9621878** 6.47D-02 <2ph|9p2>= 1.9D-01 9p2 0.0092108 -0.0456858 1.0609272** 8.03D-02 < 2s|9s2>= 2.1D-01 <3sh|9s2>= 5.8D-01 < 1s|9s2>=-8.8D-02 9s2 0.0127758 0.8664417 0.7094249** 2.22D-01 <3dh|9d2>= 1.2D-01 9d2 0.0107196 -0.0563265 1.2156069** 6.53D-02 <2ph|9p3>=-1.3D-01 9p3 0.0149210 -0.0256795 1.0870060** 7.10D-02 9f1 0.0031069 -0.0045030 1.0895924** 1.79D-02 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.2D-07 < 2s|9s2>= 2.2D-07 <3sh|9s2>= 4.4D-08 < 1s|9s2>= 1.6D-07 1 -0.000621 2 0.072275 3 0.300345 4 0.704203 5 0.426808 6 -0.440075 7 -0.729290 8 0.240988 LEAST SELF-CONSISTENT FUNCTION IS 9s2 :WEIGHTED MAXIMUM CHANGE = 9.10D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-1.92055E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.60505E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.42150E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.94005E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.55786E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.43271E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.06058E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.85255E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2515886 0.4622654 1.0011713 c 2.02D-02 9p1 1037.5961369 0.0000001************** 1.84D+00 ED = -0.119610; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.7D-01 < 1s|9s1>= 7.4D-02 9s1 0.0000308 -0.0418426 130.9444253** 1.87D-01 ED = -0.127666; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1511522 0.8625722** 3.32D-02 <2ph|9p2>= 1.3D-01 9p2 0.0093670 -0.0575865 1.1425875** 6.87D-02 < 2s|9s2>=-4.1D-02 <3sh|9s2>=-2.7D-01 < 1s|9s2>= 2.0D-02 9s2 0.0065169 0.1725978 1.6314068** 1.23D-01 <3dh|9d2>= 2.7D-02 9d2 0.0100136 -0.0475453 1.1114429** 3.04D-02 <2ph|9p3>=-2.4D-01 9p3 0.0103859 -0.0278462 1.1352667** 1.13D-01 9f1 0.0108853 -0.0035119 0.9743780** 4.37D-02 < 2s|9s1>= 9.4D-07 < 1s|9s1>= 7.0D-07 < 2s|9s2>=-3.4D-07 <3sh|9s2>=-6.8D-08 < 1s|9s2>=-2.5D-07 1 0.000922 2 -0.132223 3 0.338495 4 2.167845 5 1.109173 6 -1.109164 7 -2.192580 8 0.524441 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 8.27D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 9.29298E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.08379E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.62570E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.65926E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.10488E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.14544E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.00603E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.29913E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2698265 0.4752128 1.0280087 c 6.76D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01043065573.0158411** 1.85D+00 ED = -0.125492; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.4D-01 < 1s|9s1>=-6.2D-02 9s1 0.0000308 0.0359242 187.5240693** 1.88D-01 ED = -0.123445; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0937588 1.2399162** 1.49D-01 <2ph|9p2>= 6.1D-02 9p2 0.0090395 -0.0750206 1.0587369** 4.61D-02 < 2s|9s2>=-9.7D-02 <3sh|9s2>= 1.9D-01 < 1s|9s2>= 5.3D-02 9s2 0.0116314 0.2877890 0.9927188** 7.82D-02 <3dh|9d2>= 7.5D-02 9d2 0.0096420 -0.0223369 1.2410847** 6.94D-02 <2ph|9p3>=-3.5D-01 9p3 0.0103765 -0.0310369 1.1768360** 1.63D-01 9f1 0.0171561 -0.0017597 1.0081175** 5.48D-02 < 2s|9s1>=-7.5D-07 < 1s|9s1>=-5.6D-07 < 2s|9s2>=-5.3D-08 <3sh|9s2>=-1.1D-08 < 1s|9s2>=-4.0D-08 1 0.054961 2 -0.055391 3 0.873906 4 -1.621219 5 -0.574593 6 0.780700 7 1.520824 8 -0.097570 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 3.58D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) = 3.43227E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 6.75804E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.99217E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.56502E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.53026E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.03449E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.79415E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.83043E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2664170 0.4396122 0.9250849 c 1.28D-02 9p1 2.1014913 -0.2828228 3.9160020** 4.34D-01 ED = -0.155099; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-9.8D-02 < 1s|9s1>= 4.8D-02 9s1 0.0000308 -0.0172034 279.0661971** 1.89D-01 ED = -0.134552; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1795295 0.2363567** 4.91D-01 <2ph|9p2>= 7.4D-02 9p2 0.0114972 -0.0659603 1.0347739** 4.70D-02 < 2s|9s2>=-4.1D-01 <3sh|9s2>=-1.1D-01 < 1s|9s2>= 2.2D-01 9s2 0.0054705 -0.2223374 2.3664452** 2.57D-01 <3dh|9d2>= 4.2D-02 9d2 0.0049974 0.0030313 1.2282220** 6.79D-02 <2ph|9p3>=-9.7D-01 9p3 0.0097903 -0.1819748 10.7409529** 4.87D-01 9f1 0.4401518 -0.0000072 1.2313942** 2.40D-01 < 2s|9s1>= 7.0D-07 < 1s|9s1>= 5.2D-07 < 2s|9s2>= 8.0D-07 <3sh|9s2>= 1.6D-07 < 1s|9s2>= 6.0D-07 1 -0.003614 2 -0.071794 3 0.230620 4 1.661103 5 0.952905 6 -1.053981 7 -1.330811 8 0.127412 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 7.41D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 1.49655E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.50091E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.99140E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.10993E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.28865E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.37756E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.56593E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.24988E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2070402 0.4800076 1.0918888 c 2.87D-01 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00687551411.5793781** 5.70D-01 ED = -0.138764; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.4D-01 < 1s|9s1>=-7.3D-02 9s1 0.0000308 0.0088459 215.7590083** 1.89D-01 ED = -0.084192; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1648068 1.2083931** 4.87D-01 <2ph|9p2>= 5.4D-02 9p2 0.0092164 -0.0660313 1.0910250** 6.37D-02 < 2s|9s2>=-9.1D-02 <3sh|9s2>=-3.2D-01 < 1s|9s2>= 7.8D-02 9s2 0.0048123 0.1024004 1.4600507** 1.12D-01 <3dh|9d2>=-4.6D-04 9d2 0.0103767 -0.0284352 0.9712973** 7.81D-02 <2ph|9p3>=-8.9D-01 9p3 0.0098634 -0.1613328 3.9151565** 4.70D-01 9f1 0.0905133 -0.0047641 1.4814502** 2.19D-01 < 2s|9s1>=-3.2D-06 < 1s|9s1>=-2.3D-06 < 2s|9s2>=-6.2D-07 <3sh|9s2>=-1.3D-07 < 1s|9s2>=-4.6D-07 1 -0.042114 2 -0.089016 3 0.264145 4 -2.653113 5 -0.791479 6 1.236397 7 2.416672 8 -0.307075 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 6.25D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) = 2.15339E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.73904E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.69261E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.32699E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.55191E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.05589E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.70745E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-8.91659E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2055754 0.4326466 0.9013327 c 7.13D-03 9p1 2.8637018 0.3277053 4.1042172** 4.21D-01 ED = -0.150009; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.0D-01 < 1s|9s1>= 4.9D-02 9s1 0.0000308 -0.0187721 251.5469713** 1.89D-01 ED = -0.182762; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1305289 1.1111903** 4.23D-01 <2ph|9p2>= 4.6D-02 9p2 0.0097959 -0.0776114 1.0436411** 5.38D-02 < 2s|9s2>=-3.4D-01 <3sh|9s2>= 1.9D-01 < 1s|9s2>= 1.9D-01 9s2 0.0127315 -0.0583139 1.2944057** 1.50D-01 <3dh|9d2>= 9.7D-02 9d2 0.0037693 0.0056392 1.4640497** 1.06D-01 <2ph|9p3>=-8.5D-01 9p3 0.0097930 -0.1366520 2.6387599** 4.18D-01 9f1 0.0636273 0.0027017 1.1757021** 1.07D-01 < 2s|9s1>= 7.1D-07 < 1s|9s1>= 5.3D-07 < 2s|9s2>= 1.6D-06 <3sh|9s2>= 3.3D-07 < 1s|9s2>= 1.2D-06 1 0.001059 2 -0.071678 3 0.331020 4 1.399601 5 0.864506 6 -0.921353 7 -1.237729 8 0.190291 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.01D+00 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 1.49988E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.76920E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.18066E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-8.01354E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.28569E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.67203E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.23576E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.25159E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2039546 0.4777495 1.1042489 c 7.95D-03 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00653874847.1081639** 5.72D-01 ED = -0.133798; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.5D-01 < 1s|9s1>=-7.3D-02 9s1 0.0000308 0.0150501 218.3466191** 1.88D-01 ED = -0.115836; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1526913 0.9121802** 4.09D-01 <2ph|9p2>= 1.0D-01 9p2 0.0109350 -0.0607613 1.0881358** 8.06D-02 < 2s|9s2>=-4.6D-02 <3sh|9s2>=-1.5D-01 < 1s|9s2>= 5.8D-02 9s2 0.0056234 0.2282308 1.2370537** 7.46D-02 <3dh|9d2>= 1.0D-01 9d2 0.0076316 -0.0268441 1.0696583** 8.34D-02 <2ph|9p3>=-9.6D-01 9p3 0.0122410 -0.1802797 7.4462121** 5.03D-01 9f1 0.0986971 -0.0036880 1.0704914** 1.10D-01 < 2s|9s1>=-1.9D-06 < 1s|9s1>=-1.4D-06 < 2s|9s2>=-8.6D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.4D-08 1 0.041260 2 -0.132987 3 0.275185 4 -3.695097 5 -1.186068 6 1.874374 7 3.256131 8 -0.498104 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 6.23D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) = 1.55028E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.14142E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.77475E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.67737E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13226E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.99029E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.34417E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.86883E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1990512 0.4223602 0.8840621 c 2.46D-02 9p1 2.9128105 -0.3414974 4.1774238** 4.17D-01 ED = -0.144736; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.1D-01 < 1s|9s1>= 5.4D-02 9s1 0.0000308 -0.0230728 231.7785697** 1.90D-01 ED = -0.182979; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0871563 1.5493654** 4.07D-01 <2ph|9p2>= 4.7D-02 9p2 0.0097428 -0.0772126 1.0642259** 5.05D-02 < 2s|9s2>=-2.4D-01 <3sh|9s2>=-9.5D-02 < 1s|9s2>= 1.3D-01 9s2 0.0088178 -0.0570612 1.3757424** 1.47D-01 <3dh|9d2>= 5.8D-02 9d2 0.0055121 0.0023156 1.2994070** 8.73D-02 <2ph|9p3>=-7.7D-01 9p3 0.0090514 -0.1149617 2.2185965** 3.88D-01 9f1 0.0257108 0.0015855 1.3713238** 1.31D-01 < 2s|9s1>= 7.4D-07 < 1s|9s1>= 5.5D-07 < 2s|9s2>= 1.4D-06 <3sh|9s2>= 2.8D-07 < 1s|9s2>= 1.0D-06 1 0.002762 2 -0.070994 3 0.515191 4 1.210191 5 0.825288 6 -0.837718 7 -1.048684 8 0.146596 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 1.26D+00 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 1.38491E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.78209E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.19671E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-8.74301E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.11557E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.70146E-01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.28524E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-4.19217E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2178810 0.4794000 1.1350500 c 8.64D-02 9p1 222.7750519 -0.7511854 1.0491155** 1.55D-01 ED = -0.136691; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.4D-01 < 1s|9s1>=-7.5D-02 9s1 0.0000308 0.0040271 186.7791568** 1.89D-01 ED = -0.127725; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1561151 0.5699675** 4.09D-01 <2ph|9p2>= 2.0D-01 9p2 0.0139526 -0.0468027 1.0824465** 1.10D-01 < 2s|9s2>=-4.7D-02 <3sh|9s2>=-6.2D-02 < 1s|9s2>= 6.3D-02 9s2 0.0056001 0.2617769 1.1483624** 6.12D-02 <3dh|9d2>= 1.8D-01 9d2 0.0032233 -0.0215520 1.1941131** 7.81D-02 <2ph|9p3>=-9.8D-01 9p3 0.0156565 -0.1891190 19.8219072** 5.20D-01 9f1 0.1642882 -0.0028663 1.0441045** 1.88D-01 < 2s|9s1>=-6.7D-06 < 1s|9s1>=-5.0D-06 < 2s|9s2>=-2.8D-08 <3sh|9s2>=-5.7D-09 < 1s|9s2>=-2.1D-08 1 -0.025841 2 0.603818 3 0.532028 4 12.899466 5 5.499628 6 -7.998838 7 -10.891099 8 1.908026 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 5.45D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) = 1.53689E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-8.44187E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.88430E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.53365E-03 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.00208E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.80976E-02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.97741E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.35363E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3357609 0.6279101 1.3097833 c 3.51D-01 ED = -25.034953; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0349641 140.1722490** 6.32D-01 ED = -0.130874; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.4D-01 < 1s|9s1>= 6.5D-02 9s1 0.0000308 -0.0359158 197.6764974** 1.90D-01 ED = -0.095343; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0363735 2.9657725** 3.42D-01 <2ph|9p2>= 4.5D-02 9p2 0.0089083 -0.0725128 1.1131562** 3.82D-02 < 2s|9s2>=-7.3D-02 <3sh|9s2>=-4.8D-01 < 1s|9s2>= 4.2D-02 9s2 0.0032767 -0.0711228 2.4863879** 1.55D-01 <3dh|9d2>=-5.2D-02 9d2 0.0103617 -0.0115705 0.9780906** 3.47D-02 <2ph|9p3>=-1.2D-01 9p3 0.0066328 0.0330453 1.3600107** 8.83D-02 ED = -0.034843; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0003059 2.2918296** 2.21D-01 < 2s|9s1>= 7.8D-07 < 1s|9s1>= 5.8D-07 < 2s|9s2>= 9.0D-07 <3sh|9s2>= 1.8D-07 < 1s|9s2>= 6.7D-07 1 -1.467809 2 0.609827 3 8.059073 4 -9.332603 5 -5.780792 6 6.516457 7 8.078217 8 -0.211722 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 9.62D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-1.21964E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.83116E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.71091E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.93755E-02 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.08748E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.65478E-02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.64837E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.22441E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.4249957 0.3099142 0.4935646 c 2.10D-01 ED = -0.121245; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0430274 11.3080600** 3.88D-01 ED = -0.122072; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 1.6D-01 < 1s|9s1>=-7.5D-02 9s1 0.0000308 0.0408016 324.1477233** 1.90D-01 ED = -0.125553; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0068223 0.1021039** 6.70D-01 <2ph|9p2>= 5.9D-01 9p2 0.0215605 0.0397495 1.3604163** 2.53D-01 < 2s|9s2>=-3.2D-01 <3sh|9s2>= 1.1D-02 < 1s|9s2>= 1.5D-01 9s2 0.0047718 -0.1527274 1.5147089** 1.70D-01 ED = -0.021031; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 4.2D-01 9d2 0.0000308 0.0049915 1.1286340** 1.98D-01 <2ph|9p3>= 9.9D-01 9p3 0.0251683 0.1947992 255.1959368** 3.41D-01 ED = -1.033026; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0011490 24.3309567** 4.84D-01 < 2s|9s1>=-7.4D-07 < 1s|9s1>=-5.5D-07 < 2s|9s2>= 6.3D-07 <3sh|9s2>= 1.3D-07 < 1s|9s2>= 4.7D-07 1 0.046135 2 -0.020348 3 0.469848 4 -0.467111 5 -0.053496 6 0.316871 7 -0.443806 8 0.087768 LEAST SELF-CONSISTENT FUNCTION IS 9d1 :WEIGHTED MAXIMUM CHANGE = 5.40D+00 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) = 3.67938E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 6.19393E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.93219E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.21059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.23903E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.34844E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.53022E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.11350E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1883319 0.4652209 1.5011278 c 1.26D+00 ED = -0.104986; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087300 107.5966529** 2.41D-01 < 2s|9s1>=-6.2D-01 < 1s|9s1>=-7.8D-01 9s1 0.2255020 -2.1944823 62.0230097** 7.47D-01 ED = -0.250113; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2079723 0.4490495** 8.14D-01 <2ph|9p2>= 1.3D-01 9p2 0.0085598 -0.0510694 1.2964128** 9.96D-02 ED = -0.047876; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 9.4D-04 <3sh|9s2>=-3.1D-01 < 1s|9s2>=-3.7D-02 9s2 0.0000308 -0.1441969 79.2427630** 1.72D-01 <3dh|9d2>=-5.0D-01 9d2 0.0151028 0.0410234 0.8773717** 2.23D-01 ED = -0.015019; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.9D-01 9p3 0.0000308 -0.2020770 9.9380752** 4.38D-01 ED = -0.376918; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0006059 3.5222658** 6.56D-01 < 2s|9s1>= 2.1D-06 < 1s|9s1>= 1.6D-06 < 2s|9s2>= 3.3D-08 <3sh|9s2>= 6.6D-09 < 1s|9s2>= 2.4D-08 1 0.045807 2 -0.033737 3 0.220832 4 -0.555011 5 -0.057949 6 0.270209 7 0.277964 8 0.025578 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.26D+00 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 4.66791E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.28972E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 7.79723E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54634E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.31510E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.32801E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.48867E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.02423E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2293875 0.4516798 0.9708933 c 1.79D-01 9p1 2.6349438 -0.3015166 3.9302646** 4.44D-01 ED = -0.013231; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 4.6D-01 < 1s|9s1>=-1.6D-01 9s1 0.0000308 0.2110751 56.6580180** 6.95D-01 ED = -0.195312; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2168225 0.8122809** 2.09D-01 <2ph|9p2>=-2.4D-01 9p2 0.0069970 -0.1179327 0.9406997** 1.02D-01 < 2s|9s2>=-8.2D-01 <3sh|9s2>= 2.8D-01 < 1s|9s2>= 4.5D-01 9s2 0.0093594 -0.7209856 4.7221987** 3.60D-01 <3dh|9d2>=-2.5D-01 9d2 0.0074872 0.0666918 0.9846332** 1.25D-01 <2ph|9p3>=-6.9D-01 9p3 0.0016621 -0.0776065 3.7770082** 3.82D-01 ED = -0.091847; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0084041 3.8207039** 3.81D-01 < 2s|9s1>=-1.7D-06 < 1s|9s1>=-1.3D-06 < 2s|9s2>= 9.0D-07 <3sh|9s2>= 1.8D-07 < 1s|9s2>= 6.7D-07 1 -0.018773 2 0.107797 3 0.193874 4 -0.780665 5 -0.076426 6 0.321492 7 0.713909 8 0.111637 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.79D-01 *** CALCULATIONS FOR k^2 = 0.8600 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.016216 2 0.258914 3 0.204436 4 -0.303094 5 0.003660 6 0.198652 7 0.277168 8 0.079818 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-4.91902E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.57513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.85065E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.01921E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.24941E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.27337E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.64618E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.14300E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 109points in CSOLVE. End of range: 17.725424121462 au. kpc 0.2092327 0.4555021 1.0084625 c 9.63D-02 ED = -40.946084; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0059582 461.7481151** 5.70D-01 ED = -0.112784; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.8D-01 < 1s|9s1>= 1.9D-01 9s1 0.0000308 -0.0576789 9.3810468** 2.77D-01 ED = -0.128143; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2046659 0.9455487** 7.72D-02 <2ph|9p2>=-9.9D-01 9p2 0.0220630 -0.1987869 2.6082763** 3.76D-01 < 2s|9s2>=-5.1D-01 <3sh|9s2>= 3.4D-01 < 1s|9s2>= 4.9D-01 9s2 0.4797985 0.9768466 13.9672145** 5.57D-01 <3dh|9d2>=-7.9D-01 9d2 0.0322041 0.0999954 0.9339011** 2.46D-01 ED = -0.005570; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 7.9D-01 9p3 0.0000308 0.2443032 1.3467544** 2.88D-01 9f1 0.0055304 -0.0270783 0.4127156** 3.07D-01 < 2s|9s1>= 3.6D-06 < 1s|9s1>= 2.7D-06 < 2s|9s2>=-1.6D-06 <3sh|9s2>=-3.2D-07 < 1s|9s2>=-1.2D-06 1 -0.008206 2 -0.183757 3 0.222113 4 -0.139867 5 0.059283 6 0.115268 7 0.158927 8 0.033262 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 1.14D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 7.37624E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.32234E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.95555E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.40310E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.84086E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.94144E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.58016E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.56740E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2328930 0.4547420 0.9983311 c 1.02D-01 9p1 15.3848018 0.5113319 4.9306671** 4.30D-01 ED = -0.108191; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0684267 27.6309698** 2.31D-01 ED = -0.138963; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.2021823 0.8732788** 1.88D-02 <2ph|9p2>=-9.9D-01 9p2 0.0178611 -0.1916153 3.3693420** 4.70D-01 ED = -0.073660; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 7.6D-02 <3sh|9s2>= 4.4D-01 < 1s|9s2>=-3.8D-02 9s2 0.0000308 0.2023365 36.3811356** 5.05D-01 <3dh|9d2>=-8.3D-01 9d2 0.0088246 0.0839469 2.0041301** 2.89D-01 <2ph|9p3>= 7.0D-02 9p3 0.0059016 0.2609998 0.5266013** 3.16D-01 ED = -0.011980; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0092527 2.8097365** 2.87D-01 < 2s|9s1>=-1.2D-06 < 1s|9s1>=-9.1D-07 < 2s|9s2>=-8.4D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.3D-08 1 0.010879 2 0.078363 3 0.223801 4 -0.073966 5 -0.049356 6 0.121831 7 0.071932 8 0.070704 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.02D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-1.80299E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.38329E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.10590E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.51899E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.72813E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.67155E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.06781E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.20453E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2249250 0.4517159 0.9933456 c 3.54D-02 ED = -61.547348; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085706 651.3642841** 5.90D-01 ED = -0.108539; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.7D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 -0.0640045 46.8730626** 2.03D-01 ED = -0.124603; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1813590 0.9661683** 5.33D-02 <2ph|9p2>=-8.8D-01 9p2 0.0218775 -0.1906221 2.7560074** 5.74D-01 < 2s|9s2>=-8.7D-01 <3sh|9s2>= 1.7D-01 < 1s|9s2>= 3.9D-01 9s2 0.0200987 -1.1703683 3.8327281** 4.11D-01 <3dh|9d2>=-1.2D-01 9d2 0.0288672 0.1740595 0.9734731** 9.26D-02 <2ph|9p3>=-9.3D-01 9p3 0.0539137 -0.0514800 2.3772262** 4.40D-01 9f1 0.0053359 -0.0181487 0.7005305** 1.63D-01 < 2s|9s1>= 1.6D-06 < 1s|9s1>= 1.2D-06 < 2s|9s2>=-2.9D-07 <3sh|9s2>=-5.9D-08 < 1s|9s2>=-2.2D-07 1 0.010603 2 -0.087899 3 0.248986 4 -0.086169 5 -0.100351 6 0.112764 7 0.067003 8 0.045260 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 4.24D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 1.62376E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.73162E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.60464E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 8.21030E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.51696E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.29529E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.15321E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.99605E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2390830 0.4502483 0.9967509 c 5.92D-02 9p1 12.0996247 -0.4854166 4.7682478** 4.27D-01 ED = -0.107721; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.9D-01 < 1s|9s1>=-1.3D-01 9s1 0.0000308 0.0678066 34.1918616** 2.15D-01 ED = -0.122411; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1892739 0.8216431** 2.93D-02 <2ph|9p2>=-9.3D-01 9p2 0.0144006 -0.1754801 2.4205999** 5.39D-01 < 2s|9s2>=-8.5D-01 <3sh|9s2>=-5.5D-03 < 1s|9s2>= 4.0D-01 9s2 0.0235401 -1.2740444 1.6438511** 4.79D-01 <3dh|9d2>=-3.7D-01 9d2 0.0081265 0.1393901 1.2621596** 1.37D-01 <2ph|9p3>=-9.9D-01 9p3 0.0156057 -0.1542353 9.2422391** 7.65D-01 9f1 0.0026897 -0.0166806 1.1135159** 1.73D-01 < 2s|9s1>=-1.8D-06 < 1s|9s1>=-1.3D-06 < 2s|9s2>=-3.2D-07 <3sh|9s2>=-6.5D-08 < 1s|9s2>=-2.4D-07 1 -0.007683 2 0.095825 3 0.237978 4 -0.077128 5 -0.118387 6 0.125852 7 0.081366 8 0.046502 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.92D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-1.47079E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.31901E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.12316E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 7.03388E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.91268E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.91587E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.34006E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.71918E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2321144 0.4500496 0.9995587 c 3.00D-02 ED = -86.735886; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0081623 991.1140092** 5.88D-01 ED = -0.109843; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.9D-01 < 1s|9s1>= 1.3D-01 9s1 0.0000308 -0.0628039 28.4914381** 2.17D-01 ED = -0.120901; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1919083 0.8479921** 1.81D-02 <2ph|9p2>=-9.5D-01 9p2 0.0160758 -0.1906071 2.9710625** 5.97D-01 < 2s|9s2>=-1.6D-01 <3sh|9s2>= 6.9D-01 < 1s|9s2>= 7.3D-02 9s2 0.0092952 -0.2730034 2.7872172** 2.84D-01 <3dh|9d2>=-2.2D-02 9d2 0.0112357 0.1953169 0.8161438** 1.03D-01 <2ph|9p3>=-9.3D-01 9p3 0.0139942 -0.0760724 3.1403038** 6.68D-01 9f1 0.0104303 -0.0228577 0.8038769** 1.20D-01 < 2s|9s1>= 2.0D-06 < 1s|9s1>= 1.5D-06 < 2s|9s2>= 3.8D-07 <3sh|9s2>= 7.6D-08 < 1s|9s2>= 2.8D-07 1 -0.005233 2 -0.107198 3 0.232955 4 -0.073352 5 -0.158542 6 0.103667 7 0.092078 8 0.035772 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 5.44D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 1.30458E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.87533E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.64090E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 5.20804E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.00606E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.43890E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.31789E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.48758E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2373678 0.4509526 1.0020064 c 2.21D-02 9p1 23.7191493 0.5667284 5.1065521** 4.33D-01 ED = -0.109676; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.7D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 0.0592919 29.7847545** 2.11D-01 ED = -0.121347; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1923965 0.8650972** 1.23D-02 <2ph|9p2>=-9.5D-01 9p2 0.0106395 -0.1763921 3.0808582** 6.23D-01 < 2s|9s2>=-8.3D-01 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 3.7D-01 9s2 0.0307761 -1.3184323 1.1368803** 3.85D-01 <3dh|9d2>=-5.1D-01 9d2 0.0052585 0.1396970 1.3707797** 1.78D-01 <2ph|9p3>= 6.4D-01 9p3 0.0105768 0.2729805 1.9351367** 3.56D-01 9f1 0.0439332 -0.0229370 1.0358034** 1.69D-01 < 2s|9s1>=-1.8D-06 < 1s|9s1>=-1.3D-06 < 2s|9s2>=-3.2D-07 <3sh|9s2>=-6.5D-08 < 1s|9s2>=-2.4D-07 1 0.004497 2 0.097405 3 0.233773 4 -0.075982 5 -0.124279 6 0.120010 7 0.107178 8 0.039130 LEAST SELF-CONSISTENT FUNCTION IS 9s2 :WEIGHTED MAXIMUM CHANGE = 6.11D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-1.44726E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.27699E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.00738E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 6.57588E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.06674E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.83405E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.61255E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.66929E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2339621 0.4507585 0.9995697 c 1.46D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00824691670.4510619** 5.88D-01 ED = -0.109690; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0561062 39.5104113** 2.02D-01 ED = -0.119952; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1966621 0.8480769** 1.76D-02 <2ph|9p2>=-8.8D-01 9p2 0.0190284 -0.1451180 3.2116561** 5.90D-01 < 2s|9s2>=-7.0D-01 <3sh|9s2>=-2.9D-01 < 1s|9s2>= 3.2D-01 9s2 0.0234282 -1.4238794 1.1178752** 3.83D-01 <3dh|9d2>=-3.3D-01 9d2 0.0157278 0.1596632 1.0433635** 1.14D-01 <2ph|9p3>=-9.0D-01 9p3 0.0394519 -0.0430775 1.6049501** 4.09D-01 ED = -0.019361; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0151494 1.4309572** 1.71D-01 < 2s|9s1>= 1.6D-06 < 1s|9s1>= 1.2D-06 < 2s|9s2>=-3.6D-07 <3sh|9s2>=-7.2D-08 < 1s|9s2>=-2.7D-07 1 -0.000052 2 -0.079027 3 0.226894 4 -0.094436 5 -0.125873 6 0.118570 7 0.081150 8 0.050378 LEAST SELF-CONSISTENT FUNCTION IS 9s2 :WEIGHTED MAXIMUM CHANGE = 4.76D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 1.79611E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.25950E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 6.21438E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 6.67101E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.20862E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.80838E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.17252E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.35565E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2381065 0.4505152 0.9994603 c 1.74D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0081019************** 4.57D-01 ED = -0.108959; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.8D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 0.0616793 39.6168540** 2.06D-01 ED = -0.119749; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1860384 0.9203253** 3.22D-02 <2ph|9p2>=-9.6D-01 9p2 0.0280696 -0.1762730 2.3674113** 5.02D-01 < 2s|9s2>=-8.8D-02 <3sh|9s2>= 7.1D-01 < 1s|9s2>= 3.9D-02 9s2 0.0108909 -0.2057347 2.7210957** 2.76D-01 <3dh|9d2>= 2.8D-02 9d2 0.0167980 0.1826100 0.9494140** 2.89D-02 <2ph|9p3>=-8.3D-01 9p3 0.0172577 -0.0099343 2.0780444** 5.06D-01 9f1 0.0337328 -0.0267775 0.6505627** 1.92D-01 < 2s|9s1>=-1.8D-06 < 1s|9s1>=-1.3D-06 < 2s|9s2>= 8.3D-07 <3sh|9s2>= 1.7D-07 < 1s|9s2>= 6.2D-07 <2ph|9p3>= 1.4D-10 1 -0.005187 2 0.096748 3 0.242082 4 -0.071882 5 -0.161214 6 0.109580 7 0.091252 8 0.032582 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 4.74D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-1.45736E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.28821E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.27233E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 5.11814E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.38525E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.41647E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.46153E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.35631E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2382313 0.4508137 1.0006624 c 5.24D-04 9p1 23.6663201 0.5667089 5.1630703** 4.33D-01 ED = -0.109456; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.6D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 -0.0583686 34.9068254** 2.09D-01 ED = -0.119718; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1954768 0.8203275** 2.58D-02 <2ph|9p2>=-8.8D-01 9p2 0.0133855 -0.1444379 3.1376741** 6.07D-01 < 2s|9s2>=-7.9D-01 <3sh|9s2>=-3.9D-01 < 1s|9s2>= 3.6D-01 9s2 0.0297643 -1.3390123 1.0964868** 3.86D-01 <3dh|9d2>=-4.7D-01 9d2 0.0054421 0.1325322 1.3571725** 1.73D-01 <2ph|9p3>= 4.7D-01 9p3 0.0295025 0.3200644 1.1851360** 2.04D-01 9f1 0.0189399 -0.0191549 1.3300305** 1.34D-01 < 2s|9s1>= 1.7D-06 < 1s|9s1>= 1.3D-06 < 2s|9s2>=-3.4D-07 <3sh|9s2>=-6.8D-08 < 1s|9s2>=-2.5D-07 1 0.003746 2 -0.091124 3 0.229173 4 -0.091862 5 -0.120293 6 0.129878 7 0.093317 8 0.043678 LEAST SELF-CONSISTENT FUNCTION IS 9s2 :WEIGHTED MAXIMUM CHANGE = 6.23D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 1.54264E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.56293E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 6.14364E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 6.87044E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.93131E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.89203E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80880E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.21138E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2346241 0.4509788 1.0003663 c 1.54D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00802902033.3539240** 5.87D-01 ED = -0.109903; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.6D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 0.0568073 38.6197836** 2.05D-01 ED = -0.119127; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1911706 0.8899499** 1.47D-02 <2ph|9p2>=-9.5D-01 9p2 0.0279822 -0.1679862 2.8209453** 5.31D-01 < 2s|9s2>=-2.0D-01 <3sh|9s2>= 5.9D-01 < 1s|9s2>= 8.7D-02 9s2 0.0115185 -0.4630729 2.0740264** 2.44D-01 <3dh|9d2>=-6.8D-02 9d2 0.0187209 0.1769498 0.8875877** 5.84D-02 <2ph|9p3>=-9.9D-01 9p3 0.0262449 -0.1674030 9.1390535** 6.20D-01 ED = -0.025928; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0178720 1.1216189** 3.21D-01 < 2s|9s1>=-1.7D-06 < 1s|9s1>=-1.3D-06 < 2s|9s2>= 1.2D-07 <3sh|9s2>= 2.5D-08 < 1s|9s2>= 9.1D-08 1 0.002099 2 0.080515 3 0.234328 4 -0.079530 5 -0.161824 6 0.111234 7 0.088946 8 0.041685 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 5.78D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-1.76941E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.15194E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.36563E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 5.17631E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.25238E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.40831E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.82461E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.52446E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2375718 0.4501217 0.9980994 c 1.24D-02 9p1 59.4719069 -0.6542686 5.2025891** 4.31D-01 ED = -0.108594; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.0D-01 < 1s|9s1>= 1.4D-01 9s1 0.0000308 -0.0681611 31.4267879** 2.15D-01 ED = -0.121136; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1923801 0.8573104** 3.37D-02 <2ph|9p2>=-9.6D-01 9p2 0.0213884 -0.1909498 2.6714533** 5.53D-01 < 2s|9s2>=-1.8D-01 <3sh|9s2>= 7.8D-01 < 1s|9s2>= 8.3D-02 9s2 0.0174577 -0.2190378 2.1430148** 3.13D-01 ED = -0.002248; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 2.7D-01 9d2 0.0000308 0.2074438 0.8799189** 1.05D-01 <2ph|9p3>= 9.9D-01 9p3 0.0298133 0.2307577 9.0505480** 5.91D-01 ED = -0.068724; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0105094 1.9449870** 4.19D-01 < 2s|9s1>= 2.0D-06 < 1s|9s1>= 1.5D-06 < 2s|9s2>= 7.0D-07 <3sh|9s2>= 1.4D-07 < 1s|9s2>= 5.2D-07 1 -0.001163 2 -0.127276 3 0.232957 4 -0.067543 5 -0.146124 6 0.097644 7 0.087401 8 0.066039 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 5.26D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 1.08929E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.27273E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.75446E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 5.49389E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.78818E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.55906E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.83830E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.43691E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2349561 0.4519934 1.0041583 c 1.11D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00790456443.5889135** 5.88D-01 ED = -0.110723; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0547695 32.1666302** 2.10D-01 ED = -0.120147; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1854707 0.9057984** 5.27D-02 <2ph|9p2>=-8.6D-01 9p2 0.0098248 -0.1287824 4.1080732** 6.51D-01 < 2s|9s2>=-6.6D-01 <3sh|9s2>=-6.8D-01 < 1s|9s2>= 2.9D-01 9s2 0.0345548 -1.1571933 1.7057093** 3.71D-01 <3dh|9d2>=-6.6D-01 9d2 0.0214926 0.1165271 1.7444977** 2.83D-01 <2ph|9p3>=-8.8D-01 9p3 0.0762106 -0.0281445 1.6397857** 3.93D-01 9f1 0.0063962 -0.0181565 0.7278720** 1.92D-01 < 2s|9s1>=-1.6D-06 < 1s|9s1>=-1.2D-06 < 2s|9s2>=-2.9D-07 <3sh|9s2>=-5.8D-08 < 1s|9s2>=-2.1D-07 1 -0.013043 2 0.082407 3 0.246819 4 -0.085423 5 -0.062707 6 0.123551 7 0.071508 8 0.045870 LEAST SELF-CONSISTENT FUNCTION IS 9s2 :WEIGHTED MAXIMUM CHANGE = 5.42D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-1.70548E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.06706E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.83724E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.29025E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-8.21988E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.68140E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.65680E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.35281E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2368073 0.4521452 1.0003359 c 7.82D-03 9p1 9.4843982 0.4479901 4.8596147** 4.33D-01 ED = -0.108381; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.7D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 -0.0625873 40.8491880** 2.09D-01 ED = -0.119936; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1863297 0.8486847** 1.05D-02 <2ph|9p2>=-9.6D-01 9p2 0.0287815 -0.1950098 3.0152780** 5.30D-01 ED = -0.018548; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-5.3D-03 <3sh|9s2>= 2.9D-01 < 1s|9s2>= 4.1D-04 9s2 0.0000308 0.0395001 93.5592705** 5.05D-01 <3dh|9d2>= 2.5D-01 9d2 0.0038854 0.1689040 0.9914869** 1.36D-01 ED = -0.009109; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-4.2D-02 9p3 0.0000308 0.0773568 4.0247034** 2.97D-01 9f1 0.0321822 -0.0219582 0.8339220** 9.32D-02 < 2s|9s1>= 1.7D-06 < 1s|9s1>= 1.3D-06 < 2s|9s2>=-1.8D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.013375 2 -0.100938 3 0.245113 4 -0.091311 5 -0.057917 6 0.118374 7 0.122535 8 0.039595 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 4.53D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 1.39458E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.13082E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.34379E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.28465E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.98604E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.95007E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.75507E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.78014E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2234980 0.4517830 0.9991987 c 5.96D-02 ED = -50.181714; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0088396 518.8253049** 5.93D-01 ED = -0.110289; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0539022 39.0488113** 2.02D-01 ED = -0.120301; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1916433 0.8340732** 1.68D-02 <2ph|9p2>=-9.0D-01 9p2 0.0128781 -0.2076216 2.4882655** 5.55D-01 < 2s|9s2>=-6.8D-01 <3sh|9s2>= 6.0D-01 < 1s|9s2>= 3.0D-01 9s2 0.0234091 -0.7194024 4.4922245** 2.74D-01 <3dh|9d2>=-1.5D-01 9d2 0.0038843 0.1472249 1.1637428** 7.87D-02 <2ph|9p3>=-8.6D-01 9p3 0.0296749 0.0253972 1.0433714** 4.22D-01 ED = -0.043404; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0126560 1.6802185** 2.56D-01 < 2s|9s1>=-1.6D-06 < 1s|9s1>=-1.2D-06 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.015147 2 0.077866 3 0.232827 4 -0.092173 5 -0.115320 6 0.129089 7 0.069119 8 0.057318 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.96D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-1.84138E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.33963E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.49649E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 7.07757E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.47886E-04 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.00339E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.54752E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.88290E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2374503 0.4498745 0.9957757 c 5.88D-02 9p1 8.5571539 -0.4384968 4.5878024** 4.29D-01 ED = -0.107653; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.0D-01 < 1s|9s1>= 1.3D-01 9s1 0.0000308 -0.0675679 34.3341724** 2.08D-01 ED = -0.123544; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1858367 0.8947968** 2.72D-02 <2ph|9p2>=-8.9D-01 9p2 0.0173510 -0.1757263 1.9874569** 4.85D-01 < 2s|9s2>=-8.7D-01 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 4.0D-01 9s2 0.0383839 -1.1140459 2.4784862** 4.53D-01 <3dh|9d2>=-4.6D-01 9d2 0.0288439 0.1586658 0.9726550** 1.82D-01 ED = -0.000406; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-7.1D-01 9p3 0.0000308 -0.0593612 4.3392154** 6.43D-01 9f1 0.0304257 -0.0257131 0.5899837** 2.75D-01 < 2s|9s1>= 2.0D-06 < 1s|9s1>= 1.5D-06 < 2s|9s2>= 7.6D-06 <3sh|9s2>= 1.5D-06 < 1s|9s2>= 5.6D-06 1 -0.011517 2 -0.125343 3 0.246436 4 -0.090623 5 0.001336 6 0.113656 7 0.119651 8 0.034304 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.88D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 1.09211E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.32250E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.68215E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.50535E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.65250E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.70706E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.01168E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.66806E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2239983 0.4531188 1.0072116 c 6.01D-02 ED = -58.110818; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0082109 602.6283966** 5.94D-01 ED = -0.111140; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.3D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0498971 35.3120104** 2.03D-01 ED = -0.118645; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1918898 0.8296563** 2.93D-02 <2ph|9p2>=-9.5D-01 9p2 0.0161981 -0.2041374 3.1934111** 5.95D-01 < 2s|9s2>=-2.1D-01 <3sh|9s2>=-3.1D-01 < 1s|9s2>= 4.2D-01 9s2 0.5870160 1.5066597 27.5775011** 6.78D-01 ED = -0.007210; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-1.7D-01 9d2 0.0000308 0.1499507 1.1969883** 1.08D-01 <2ph|9p3>=-9.9D-01 9p3 0.0296200 -0.1669364 7.1131644** 4.85D-01 ED = -0.021152; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0132640 1.8642153** 3.09D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-2.5D-07 <3sh|9s2>=-5.0D-08 < 1s|9s2>=-1.8D-07 1 -0.005136 2 0.065317 3 0.232569 4 -0.094728 5 0.059049 6 0.123781 7 0.089234 8 0.049446 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.01D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-2.21267E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.38407E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.47310E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.45509E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.71640E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.87566E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.28632E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.39480E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2388291 0.4494551 0.9919144 c 6.21D-02 9p1 25.8250003 0.5809395 4.8003157** 4.25D-01 ED = -0.106379; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.5D-01 < 1s|9s1>= 1.5D-01 9s1 0.0000308 -0.0848729 30.9296683** 2.19D-01 ED = -0.124502; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1927129 0.8616889** 4.21D-02 <2ph|9p2>=-8.4D-01 9p2 0.0177633 -0.2236311 2.0762540** 4.93D-01 ED = -0.000696; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-3.0D-03 <3sh|9s2>=-2.9D-01 < 1s|9s2>= 2.6D-03 9s2 0.0000308 -0.0472011 98.0922628** 5.58D-01 <3dh|9d2>= 5.0D-01 9d2 0.0088417 0.2046798 0.8015510** 2.05D-01 <2ph|9p3>= 9.8D-01 9p3 0.0452475 0.2836974 3.5737454** 5.07D-01 ED = -0.029764; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0197115 0.8865218** 3.05D-01 < 2s|9s1>= 2.3D-06 < 1s|9s1>= 1.7D-06 < 2s|9s2>= 1.7D-07 <3sh|9s2>= 3.5D-08 < 1s|9s2>= 1.3D-07 1 0.003317 2 -0.169102 3 0.233178 4 -0.117842 5 0.032596 6 0.087613 7 0.070797 8 0.042196 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.21D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 7.95500E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.46544E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.38552E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.28561E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.50848E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.98386E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.08511E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.38569E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2299478 0.4531590 1.0082409 c 3.86D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00775262125.4639183** 5.93D-01 ED = -0.111389; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.6D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 0.0591380 23.8801511** 2.25D-01 ED = -0.124896; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1890276 0.8866716** 4.59D-02 <2ph|9p2>=-9.7D-01 9p2 0.0057204 -0.1993440 2.8551735** 5.43D-01 < 2s|9s2>= 8.5D-01 <3sh|9s2>= 3.2D-01 < 1s|9s2>=-3.8D-01 9s2 0.0439115 0.9344024 16.2115630** 4.26D-01 <3dh|9d2>=-7.6D-01 9d2 0.0222673 0.0998154 2.2243370** 3.77D-01 ED = -0.034667; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 4.8D-01 9p3 0.0000308 0.1518306 4.8953349** 4.98D-01 9f1 0.0601951 -0.0283136 0.7208676** 2.16D-01 < 2s|9s1>=-1.6D-06 < 1s|9s1>=-1.2D-06 < 2s|9s2>=-4.3D-06 <3sh|9s2>=-8.7D-07 < 1s|9s2>=-3.2D-06 1 0.010598 2 0.088256 3 0.241283 4 -0.088189 5 -0.077600 6 0.122444 7 0.105305 8 0.031445 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 6.40D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-1.62595E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.74916E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.57250E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.08100E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.02822E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.97744E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.71266E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.18767E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2374215 0.4510173 0.9952739 c 3.15D-02 9p1 12.2469342 -0.4902926 4.7230702** 4.29D-01 ED = -0.107580; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0611654 43.5853784** 2.01D-01 ED = -0.122574; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1988379 0.8131965** 2.92D-02 <2ph|9p2>=-8.2D-01 9p2 0.0136645 -0.1434734 2.5082125** 5.20D-01 < 2s|9s2>=-7.7D-01 <3sh|9s2>=-4.3D-01 < 1s|9s2>= 3.7D-01 9s2 0.0314199 -1.3594397 2.0665478** 4.47D-01 <3dh|9d2>=-4.4D-01 9d2 0.0126993 0.1322044 1.2275917** 1.35D-01 <2ph|9p3>= 8.8D-01 9p3 0.0430696 0.3118203 1.5396915** 4.44D-01 ED = -0.043666; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0118227 2.2321082** 3.11D-01 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.1D-06 < 2s|9s2>=-3.1D-07 <3sh|9s2>=-6.4D-08 < 1s|9s2>=-2.3D-07 1 -0.006924 2 -0.081752 3 0.223920 4 -0.105475 5 -0.094083 6 0.133853 7 0.080732 8 0.060263 LEAST SELF-CONSISTENT FUNCTION IS 9p3 :WEIGHTED MAXIMUM CHANGE = 4.67D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 1.73093E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.08791E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.15710E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 8.83450E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66190E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.41786E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.22546E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.27679E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2323517 0.4503864 0.9986011 c 2.18D-02 ED = -96.187326; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00811911106.2400086** 5.88D-01 ED = -0.109640; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.7D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 0.0598846 39.0431219** 2.05D-01 ED = -0.120550; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1835525 0.9478076** 4.38D-02 <2ph|9p2>=-9.4D-01 9p2 0.0278787 -0.1774035 2.1471600** 4.80D-01 < 2s|9s2>=-2.1D-02 <3sh|9s2>= 6.3D-01 < 1s|9s2>= 6.2D-03 9s2 0.0025864 -0.0354595 7.1753262** 4.27D-01 <3dh|9d2>= 3.3D-02 9d2 0.0239174 0.1742465 0.8888695** 6.24D-02 <2ph|9p3>= 9.4D-01 9p3 0.0170449 0.2460770 4.5946094** 6.19D-01 9f1 0.0426840 -0.0215101 0.6816636** 2.02D-01 < 2s|9s1>=-1.8D-06 < 1s|9s1>=-1.4D-06 < 2s|9s2>= 2.6D-06 <3sh|9s2>= 5.3D-07 < 1s|9s2>= 1.9D-06 1 -0.015785 2 0.103575 3 0.248172 4 -0.086950 5 -0.153432 6 0.117266 7 0.094681 8 0.042939 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 5.06D-02 *** CALCULATIONS FOR k^2 = 0.8400 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.020090 2 0.133835 3 0.243091 4 -0.081859 5 -0.116110 6 0.114154 7 0.082350 8 0.041243 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-1.03694E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.11741E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.25854E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 6.75630E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.59862E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.00043E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.76127E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.87349E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 109points in CSOLVE. End of range: 17.725424121462 au. kpc 0.2323780 0.4465101 0.9913934 c 1.13D-04 9p1 6.0392006 0.3736127 4.7943686** 4.34D-01 ED = -0.096166; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 -0.0365826 28.0907184** 2.09D-01 ED = -0.088132; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1869050 0.8668467** 3.98D-02 <2ph|9p2>=-9.8D-01 9p2 0.0385129 -0.1818620 5.2763455** 6.50D-01 < 2s|9s2>=-9.2D-01 <3sh|9s2>= 1.8D-02 < 1s|9s2>= 3.9D-01 9s2 0.0537746 -0.9605186 4.0823262** 4.21D-01 <3dh|9d2>=-4.2D-01 9d2 0.0509196 0.1736249 0.9993685** 1.78D-01 <2ph|9p3>= 3.0D-02 9p3 0.0692148 0.3266580 0.7272252** 2.00D-01 ED = -0.010751; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0171291 1.2152765** 1.14D-01 < 2s|9s1>= 2.4D-06 < 1s|9s1>= 1.8D-06 < 2s|9s2>= 8.7D-06 <3sh|9s2>= 1.8D-06 < 1s|9s2>= 6.5D-06 1 0.021104 2 -0.123369 3 0.239683 4 -0.076988 5 0.040725 6 0.103816 7 0.066003 8 0.045848 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 5.32D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 1.13283E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.47514E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.41848E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.95153E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.54736E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.80100E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.89494E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.77700E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2153499 0.4445214 0.9955462 c 7.91D-02 ED = -32.523068; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0071099 355.5500523** 5.79D-01 ED = -0.089652; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0598784 37.2128857** 2.04D-01 ED = -0.105267; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1859353 0.8808469** 1.11D-02 <2ph|9p2>=-9.9D-01 9p2 0.0405605 -0.1955069 5.9033195** 6.09D-01 ED = -0.019516; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 3.3D-03 <3sh|9s2>=-2.8D-01 < 1s|9s2>= 2.2D-04 9s2 0.0000308 -0.0358076 126.2723777** 6.19D-01 <3dh|9d2>=-6.6D-02 9d2 0.0151518 0.1809124 1.0884651** 5.08D-02 <2ph|9p3>= 9.1D-01 9p3 0.0271650 0.3254176 2.5872414** 5.81D-01 9f1 0.0433881 -0.0242844 0.7657309** 1.35D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>= 2.0D-07 <3sh|9s2>= 4.0D-08 < 1s|9s2>= 1.5D-07 1 0.032070 2 0.112636 3 0.238138 4 -0.076327 5 0.037448 6 0.109051 7 0.065076 8 0.035562 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.91D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-1.24073E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.80254E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.18118E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.09567E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.77938E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.45337E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.90390E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.03353E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2309382 0.4445207 0.9999984 c 6.75D-02 9p1 3.8483004 -0.3112039 4.4035895** 4.27D-01 ED = -0.088444; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.6D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0583066 36.0492887** 2.06D-01 ED = -0.105330; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1875532 0.8767617** 1.25D-02 <2ph|9p2>=-9.6D-01 9p2 0.0247786 -0.2053989 3.9246009** 6.68D-01 < 2s|9s2>= 8.8D-01 <3sh|9s2>=-2.3D-01 < 1s|9s2>=-4.0D-01 9s2 0.0416231 0.8470817 11.9543881** 3.59D-01 <3dh|9d2>=-2.6D-01 9d2 0.0305965 0.1850035 0.9862537** 1.04D-01 <2ph|9p3>=-8.0D-01 9p3 0.0427625 0.0792601 1.5157153** 3.96D-01 9f1 0.0028202 -0.0200895 1.1994865** 8.62D-02 < 2s|9s1>= 1.6D-06 < 1s|9s1>= 1.2D-06 < 2s|9s2>=-8.6D-06 <3sh|9s2>=-1.7D-06 < 1s|9s2>=-6.4D-06 1 -0.028867 2 -0.115378 3 0.236905 4 -0.090537 5 -0.035495 6 0.102688 7 0.063888 8 0.040724 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.75D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 1.21748E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.70242E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.86268E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.22802E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.49821E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.62704E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.34982E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.76816E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2102225 0.4429846 0.9965445 c 9.85D-02 ED = -23.907644; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0075574 256.3941703** 5.80D-01 ED = -0.089375; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.6D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 0.0621590 35.4571156** 2.07D-01 ED = -0.106308; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1894742 0.8698374** 1.95D-02 <2ph|9p2>=-9.7D-01 9p2 0.0278129 -0.2105229 3.5494414** 6.15D-01 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 8.2D-01 < 1s|9s2>= 5.8D-02 9s2 0.0103185 -0.0937434 13.2188485** 5.37D-01 <3dh|9d2>= 2.1D-02 9d2 0.0131850 0.1945711 1.0099193** 2.26D-02 <2ph|9p3>= 9.9D-01 9p3 0.0239121 0.2017891 58.1387444** 7.79D-01 9f1 0.0717078 -0.0189714 1.0834679** 2.05D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>= 1.7D-06 <3sh|9s2>= 3.5D-07 < 1s|9s2>= 1.3D-06 1 -0.019796 2 0.116015 3 0.233562 4 -0.081089 5 -0.109328 6 0.103683 7 0.018086 8 0.044502 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.85D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-1.22897E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.68137E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44639E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 7.39996E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.17464E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.18619E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.87767E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.31389E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2302711 0.4429813 0.9999925 c 8.71D-02 9p1 6.4099398 0.3840859 4.6175807** 4.24D-01 ED = -0.089018; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.7D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 -0.0607427 31.1454762** 2.10D-01 ED = -0.104900; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1879278 0.8921683** 8.72D-03 <2ph|9p2>=-9.7D-01 9p2 0.0246291 -0.1875969 3.6468621** 6.32D-01 < 2s|9s2>=-9.0D-01 <3sh|9s2>=-2.5D-02 < 1s|9s2>= 4.1D-01 9s2 0.0603684 -0.8129446 7.9338408** 4.91D-01 <3dh|9d2>=-5.4D-01 9d2 0.0665359 0.1592857 1.1843053** 1.96D-01 <2ph|9p3>= 1.8D-01 9p3 0.4097718 0.4009264 1.8314825** 5.18D-01 ED = -0.045525; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0213480 0.9204023** 3.18D-01 < 2s|9s1>= 1.8D-06 < 1s|9s1>= 1.3D-06 < 2s|9s2>= 6.9D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.1D-06 1 0.018568 2 -0.132719 3 0.236065 4 -0.073949 5 0.060359 6 0.102070 7 0.053687 8 0.035457 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.71D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 1.05326E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.22029E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.37984E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.34635E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.74922E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.90012E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.08077E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.84997E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2181319 0.4436467 1.0015022 c 5.57D-02 ED = -36.824994; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0070969 412.7679516** 5.78D-01 ED = -0.089708; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.6D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 0.0613604 32.8572982** 2.10D-01 ED = -0.105099; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1917255 0.8648736** 2.13D-02 <2ph|9p2>=-9.9D-01 9p2 0.0304047 -0.1914674 5.2942724** 6.65D-01 < 2s|9s2>= 6.0D-02 <3sh|9s2>=-6.2D-01 < 1s|9s2>=-2.5D-02 9s2 0.0020143 0.0604317 11.2057331** 5.00D-01 <3dh|9d2>=-3.0D-01 9d2 0.0188518 0.1678953 1.1708310** 1.12D-01 <2ph|9p3>= 9.5D-01 9p3 0.0358374 0.2901597 4.6171330** 7.08D-01 9f1 0.0553944 -0.0268994 0.8873214** 1.58D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-1.1D-06 <3sh|9s2>=-2.1D-07 < 1s|9s2>=-7.8D-07 1 0.023287 2 0.116062 3 0.229779 4 -0.071709 5 0.116099 6 0.110787 7 0.067616 8 0.032133 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.57D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-1.20355E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.69197E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.71082E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.87765E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.80571E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.06751E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.51997E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.97029E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2311077 0.4440282 1.0008598 c 5.61D-02 9p1 5.2959036 -0.3551321 4.6322407** 4.27D-01 ED = -0.088764; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0582927 35.6141573** 2.06D-01 ED = -0.105811; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1897084 0.8976390** 2.30D-02 <2ph|9p2>=-9.6D-01 9p2 0.0288801 -0.1870967 4.5540325** 6.91D-01 < 2s|9s2>= 9.1D-01 <3sh|9s2>=-6.5D-02 < 1s|9s2>=-4.1D-01 9s2 0.0465502 0.9293759 3.6799625** 4.05D-01 <3dh|9d2>=-3.6D-01 9d2 0.0492820 0.1841274 0.9725185** 1.60D-01 <2ph|9p3>=-8.0D-01 9p3 0.0433720 0.0595599 1.5055773** 4.08D-01 9f1 0.0151104 -0.0271640 0.9989561** 5.89D-02 < 2s|9s1>= 1.6D-06 < 1s|9s1>= 1.2D-06 < 2s|9s2>=-9.3D-06 <3sh|9s2>=-1.9D-06 < 1s|9s2>=-6.9D-06 1 -0.022815 2 -0.117906 3 0.234352 4 -0.079124 5 -0.033696 6 0.100171 7 0.066163 8 0.032022 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.61D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 1.18102E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.63074E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.02053E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.33597E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.97899E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.98719E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.14085E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.15087E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2137719 0.4440192 0.9999798 c 8.11D-02 ED = -30.108504; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0072094 325.9018720** 5.80D-01 ED = -0.089699; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0590957 37.7423787** 2.04D-01 ED = -0.104224; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1911409 0.8750237** 9.69D-03 <2ph|9p2>=-9.8D-01 9p2 0.0355449 -0.2033148 4.9061495** 6.27D-01 ED = -0.004026; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.4D-03 <3sh|9s2>= 2.8D-01 < 1s|9s2>=-8.4D-04 9s2 0.0000308 0.0407406 177.0590549** 6.24D-01 <3dh|9d2>= 7.8D-02 9d2 0.0093051 0.1979476 1.0305595** 3.14D-02 <2ph|9p3>= 9.9D-01 9p3 0.0229012 0.2206837 15.4136485** 7.39D-01 9f1 0.0542916 -0.0198689 1.3258855** 2.72D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 -0.033259 2 0.117580 3 0.231282 4 -0.081807 5 -0.029658 6 0.102530 7 0.064757 8 0.043863 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.11D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-1.19520E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.64656E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.66807E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.63311E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.19402E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.15846E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.20743E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.05598E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2297791 0.4444649 1.0010036 c 6.97D-02 9p1 3.7240896 0.3080881 4.3635005** 4.27D-01 ED = -0.088700; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0571039 36.2723560** 2.05D-01 ED = -0.105891; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1879748 0.9040562** 2.54D-02 <2ph|9p2>=-9.5D-01 9p2 0.0239177 -0.1975430 3.6486208** 6.45D-01 < 2s|9s2>=-9.0D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 4.1D-01 9s2 0.0526593 -0.8306464 24.0820396** 4.03D-01 <3dh|9d2>=-4.4D-01 9d2 0.0451958 0.1638191 1.1787397** 1.34D-01 <2ph|9p3>=-4.4D-01 9p3 0.1043623 0.2530292 0.8930922** 3.29D-01 ED = -0.034332; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0189778 1.0440192** 1.59D-01 < 2s|9s1>= 1.6D-06 < 1s|9s1>= 1.2D-06 < 2s|9s2>= 7.3D-06 <3sh|9s2>= 1.5D-06 < 1s|9s2>= 5.4D-06 1 0.028522 2 -0.111331 3 0.235975 4 -0.086951 5 0.056562 6 0.106032 7 0.061121 8 0.042764 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.97D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 1.27336E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.83667E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.12260E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.44513E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.25104E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.16373E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.26436E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.02569E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2115399 0.4424360 0.9954352 c 8.62D-02 ED = -24.190427; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0075076 267.5689481** 5.78D-01 ED = -0.088894; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.6D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 0.0644443 36.5493789** 2.08D-01 ED = -0.107424; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1902924 0.8684920** 3.38D-02 <2ph|9p2>=-9.8D-01 9p2 0.0308511 -0.1966585 3.7512098** 6.01D-01 < 2s|9s2>= 4.0D-02 <3sh|9s2>=-6.6D-01 < 1s|9s2>=-1.9D-02 9s2 0.0026489 0.0253721 12.0478590** 5.28D-01 <3dh|9d2>=-1.3D-01 9d2 0.0220831 0.1845301 1.0247347** 4.70D-02 <2ph|9p3>=-9.9D-01 9p3 0.0198347 -0.1706939 18.8901342** 7.57D-01 9f1 0.0197883 -0.0253733 0.7897635** 2.75D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-3.5D-06 <3sh|9s2>=-7.2D-07 < 1s|9s2>=-2.6D-06 1 0.017122 2 0.106532 3 0.230926 4 -0.074380 5 0.119559 6 0.104647 7 0.087872 8 0.032099 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.62D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-1.32238E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99640E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.17836E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.78680E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.95559E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.98732E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.31722E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.75959E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2309636 0.4428539 1.0009445 c 8.41D-02 9p1 7.2904770 -0.3985809 4.7606591** 4.25D-01 ED = -0.088849; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-3.0D-01 < 1s|9s1>= 1.4D-01 9s1 0.0000308 -0.0652737 26.1606842** 2.17D-01 ED = -0.105277; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1880506 0.8945295** 1.33D-02 <2ph|9p2>=-9.7D-01 9p2 0.0269198 -0.2151841 4.1399156** 6.75D-01 < 2s|9s2>= 7.3D-01 <3sh|9s2>=-5.6D-01 < 1s|9s2>=-3.3D-01 9s2 0.0387748 0.7062442 2.7553566** 3.65D-01 <3dh|9d2>= 1.4D-01 9d2 0.0159687 0.2213266 0.8665931** 8.62D-02 <2ph|9p3>= 1.7D-01 9p3 0.0513189 0.4146021 0.8395114** 2.12D-01 ED = -0.046205; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0223345 1.2158259** 2.59D-01 < 2s|9s1>= 2.1D-06 < 1s|9s1>= 1.6D-06 < 2s|9s2>=-5.3D-08 <3sh|9s2>=-1.1D-08 < 1s|9s2>=-4.0D-08 1 -0.019553 2 -0.164564 3 0.234861 4 -0.092667 5 0.057357 6 0.090259 7 0.077940 8 0.037463 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.41D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 8.31482E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.59933E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.93135E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.30604E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.51179E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.10519E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.19528E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.90723E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2143911 0.4437221 1.0019606 c 7.73D-02 ED = -34.973088; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0072561 363.8301705** 5.82D-01 ED = -0.090231; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0602567 27.2073888** 2.12D-01 ED = -0.108107; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1908856 0.8699259** 1.23D-02 <2ph|9p2>=-9.8D-01 9p2 0.0165737 -0.1998429 3.9583921** 6.38D-01 < 2s|9s2>= 9.0D-01 <3sh|9s2>= 6.8D-02 < 1s|9s2>=-4.1D-01 9s2 0.0526454 0.8575163 11.3463491** 4.69D-01 <3dh|9d2>=-6.5D-01 9d2 0.0436487 0.1466410 1.4579021** 2.37D-01 ED = -0.021709; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-4.9D-02 9p3 0.0000308 0.0811300 3.2131177** 3.99D-01 9f1 0.0621902 -0.0293046 0.7757126** 1.71D-01 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-7.0D-06 <3sh|9s2>=-1.4D-06 < 1s|9s2>=-5.2D-06 1 -0.011633 2 0.111949 3 0.232030 4 -0.074558 5 -0.058804 6 0.100363 7 0.090956 8 0.029713 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.73D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-1.26698E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83123E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.00695E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.42456E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.86232E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.04371E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.59838E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.05543E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2326306 0.4435571 0.9996281 c 7.84D-02 9p1 11.3724338 0.4636883 4.6753921** 4.19D-01 ED = -0.088507; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0578042 39.2727574** 1.98D-01 ED = -0.103562; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1939232 0.8702769** 1.47D-02 <2ph|9p2>=-9.8D-01 9p2 0.0293519 -0.1955739 4.2245669** 6.71D-01 < 2s|9s2>=-4.5D-01 <3sh|9s2>= 5.5D-01 < 1s|9s2>= 2.1D-01 9s2 0.0149053 -0.7827642 3.1145574** 3.50D-01 <3dh|9d2>=-3.2D-01 9d2 0.0213856 0.1676543 1.1879511** 1.16D-01 <2ph|9p3>= 2.9D-01 9p3 0.0540998 0.4334523 0.7174076** 4.52D-01 ED = -0.024899; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0188379 1.5328381** 2.30D-01 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.1D-06 < 2s|9s2>=-1.1D-07 <3sh|9s2>=-2.3D-08 < 1s|9s2>=-8.5D-08 1 0.012775 2 -0.100825 3 0.225195 4 -0.073204 5 -0.120626 6 0.108250 7 0.066440 8 0.041500 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.84D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 1.41078E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.23338E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.57699E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 6.78899E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.40081E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.94837E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.43885E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.54094E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2236145 0.4416071 0.9956037 c 4.03D-02 ED = -53.153089; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0075346 596.5828227** 5.78D-01 ED = -0.089102; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.7D-01 < 1s|9s1>=-1.2D-01 9s1 0.0000308 0.0632349 36.2367564** 2.04D-01 ED = -0.105269; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1890991 0.9134981** 2.02D-02 <2ph|9p2>=-9.7D-01 9p2 0.0318094 -0.1842789 3.9206363** 6.63D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>=-9.9D-02 < 1s|9s2>= 4.1D-01 9s2 0.0484048 -1.2146070 1.6204647** 4.51D-01 <3dh|9d2>=-2.8D-01 9d2 0.0363444 0.1822421 1.0032571** 9.61D-02 <2ph|9p3>= 3.1D-01 9p3 0.0484361 0.3928480 1.1729959** 1.77D-01 9f1 0.0438960 -0.0288559 0.7249261** 2.05D-01 < 2s|9s1>=-1.6D-06 < 1s|9s1>=-1.2D-06 < 2s|9s2>=-2.8D-07 <3sh|9s2>=-5.6D-08 < 1s|9s2>=-2.1D-07 1 0.013372 2 0.123128 3 0.232168 4 -0.070871 5 -0.092231 6 0.104294 7 0.072706 8 0.029995 LEAST SELF-CONSISTENT FUNCTION IS 9s2 :WEIGHTED MAXIMUM CHANGE = 5.45D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-1.13035E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46054E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.38722E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 8.83352E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.61802E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.56847E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.87430E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.54920E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2327094 0.4434555 1.0041856 c 3.91D-02 9p1 9.3652023 -0.4326834 4.8573974** 4.23D-01 ED = -0.089465; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.6D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 -0.0574619 32.3399697** 2.08D-01 ED = -0.102845; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1914151 0.8772634** 1.38D-02 <2ph|9p2>=-9.8D-01 9p2 0.0335543 -0.1868311 5.4215933** 6.81D-01 < 2s|9s2>=-8.5D-01 <3sh|9s2>= 2.1D-01 < 1s|9s2>= 3.8D-01 9s2 0.0312567 -1.1108497 2.3084951** 5.06D-01 <3dh|9d2>=-3.1D-01 9d2 0.0261682 0.1799045 1.0558268** 1.15D-01 <2ph|9p3>=-8.8D-01 9p3 0.0410693 -0.0068430 2.0440190** 5.45D-01 9f1 0.0280934 -0.0283415 1.0054972** 4.21D-02 < 2s|9s1>= 1.6D-06 < 1s|9s1>= 1.2D-06 < 2s|9s2>=-2.5D-07 <3sh|9s2>=-5.1D-08 < 1s|9s2>=-1.9D-07 <2ph|9p3>= 3.1D-10 1 -0.016000 2 -0.113886 3 0.230259 4 -0.073499 5 -0.110881 6 0.103678 7 0.073826 8 0.030365 LEAST SELF-CONSISTENT FUNCTION IS 9p2 :WEIGHTED MAXIMUM CHANGE = 4.83D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 1.23344E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.74999E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.25594E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 7.13548E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.94533E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.12373E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.47191E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.18471E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2197957 0.4427317 0.9983679 c 5.88D-02 ED = -42.611708; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0074189 464.6520160** 5.79D-01 ED = -0.089571; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0599996 36.0863304** 2.06D-01 ED = -0.104339; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1931415 0.8767178** 1.16D-02 <2ph|9p2>=-9.8D-01 9p2 0.0345233 -0.1859189 4.8652930** 6.54D-01 < 2s|9s2>=-8.4D-01 <3sh|9s2>= 2.4D-01 < 1s|9s2>= 3.9D-01 9s2 0.0387115 -1.0486203 1.9549380** 4.40D-01 <3dh|9d2>=-2.6D-01 9d2 0.0229067 0.1834921 1.0460955** 8.38D-02 <2ph|9p3>= 6.7D-01 9p3 0.0365339 0.3719049 1.4647309** 3.61D-01 9f1 0.0324862 -0.0264844 1.0613276** 7.97D-02 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-2.2D-07 <3sh|9s2>=-4.4D-08 < 1s|9s2>=-1.6D-07 1 -0.017858 2 0.114485 3 0.226740 4 -0.070037 5 -0.108710 6 0.104062 7 0.076105 8 0.032117 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.88D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-1.22248E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.72954E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.01997E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 7.44321E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.37398E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.19418E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.38642E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.02725E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2321827 0.4435512 1.0018509 c 5.34D-02 9p1 7.0939879 0.3952314 4.6743291** 4.23D-01 ED = -0.088965; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0576003 35.3297191** 2.05D-01 ED = -0.104163; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1908808 0.9015951** 1.40D-02 <2ph|9p2>=-9.8D-01 9p2 0.0349110 -0.1841754 5.1736713** 6.82D-01 < 2s|9s2>=-9.0D-01 <3sh|9s2>= 1.1D-01 < 1s|9s2>= 4.0D-01 9s2 0.0405050 -1.0295835 2.7077223** 4.84D-01 <3dh|9d2>=-3.0D-01 9d2 0.0345498 0.1841581 1.0364701** 1.04D-01 <2ph|9p3>=-6.4D-01 9p3 0.0461615 0.1338795 1.2363537** 3.12D-01 9f1 0.0250739 -0.0281890 0.9575448** 5.31D-02 < 2s|9s1>= 1.6D-06 < 1s|9s1>= 1.2D-06 < 2s|9s2>= 6.7D-07 <3sh|9s2>= 1.4D-07 < 1s|9s2>= 5.0D-07 1 0.019222 2 -0.119399 3 0.232768 4 -0.074556 5 -0.031445 6 0.103878 7 0.071915 8 0.031329 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.34D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 1.15841E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.58485E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.39700E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.33692E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.90516E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.50598E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.25459E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.90209E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2140694 0.4442909 1.0016678 c 8.46D-02 ED = -35.593745; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0074335 365.3359765** 5.83D-01 ED = -0.090151; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0567215 37.3561641** 2.04D-01 ED = -0.102970; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1897044 0.8882088** 1.28D-02 <2ph|9p2>=-9.9D-01 9p2 0.0373084 -0.2009317 5.4082370** 6.58D-01 ED = -0.025653; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.9D-02 <3sh|9s2>= 2.8D-01 < 1s|9s2>= 6.1D-03 9s2 0.0000308 0.0216177 158.5527154** 2.71D-01 <3dh|9d2>=-5.7D-02 9d2 0.0173565 0.2016166 0.9688586** 4.70D-02 <2ph|9p3>=-9.5D-01 9p3 0.0341573 -0.0618417 2.8269366** 6.09D-01 9f1 0.0119170 -0.0270974 1.0169561** 8.22D-02 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-2.3D-07 <3sh|9s2>=-4.7D-08 < 1s|9s2>=-1.7D-07 1 0.031932 2 0.109935 3 0.231533 4 -0.080034 5 -0.033820 6 0.098717 7 0.065902 8 0.030547 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.46D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-1.27271E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.89457E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.52830E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.33817E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.55461E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.13958E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.63547E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.09971E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2315032 0.4441810 0.9997525 c 7.53D-02 9p1 4.0419715 -0.3184541 4.2467628** 4.22D-01 ED = -0.087925; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.7D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 -0.0619604 33.6616451** 2.07D-01 ED = -0.106687; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1881954 0.8950888** 8.73D-03 <2ph|9p2>=-9.6D-01 9p2 0.0257612 -0.2177047 3.7774653** 6.59D-01 < 2s|9s2>=-7.9D-01 <3sh|9s2>= 4.8D-01 < 1s|9s2>= 3.5D-01 9s2 0.0367246 -0.7174677 12.1583796** 2.85D-01 <3dh|9d2>=-8.5D-02 9d2 0.0170868 0.2065119 0.9849468** 5.02D-02 <2ph|9p3>= 8.5D-01 9p3 0.0253824 0.3865138 1.9303966** 5.04D-01 9f1 0.0261943 -0.0262865 1.0733933** 1.33D-01 < 2s|9s1>= 1.7D-06 < 1s|9s1>= 1.3D-06 < 2s|9s2>= 1.9D-06 <3sh|9s2>= 3.8D-07 < 1s|9s2>= 1.4D-06 1 -0.028600 2 -0.126557 3 0.235909 4 -0.095098 5 0.023254 6 0.095695 7 0.065711 8 0.033780 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.53D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 1.10229E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.37698E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 8.99405E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-3.24101E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.82708E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.01219E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.05548E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.93508E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2089148 0.4431298 0.9976334 c 1.08D-01 ED = -24.109840; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0077778 247.6976161** 5.83D-01 ED = -0.089790; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.6D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0605994 32.9665114** 2.08D-01 ED = -0.106693; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1928346 0.8587174** 1.30D-02 <2ph|9p2>=-9.6D-01 9p2 0.0201709 -0.2162549 3.2178810** 6.21D-01 < 2s|9s2>= 8.9D-01 <3sh|9s2>=-1.5D-01 < 1s|9s2>=-4.1D-01 9s2 0.0540031 0.8096191 22.5154440** 5.56D-01 <3dh|9d2>=-3.7D-01 9d2 0.0227815 0.1819225 1.1329752** 1.08D-01 <2ph|9p3>= 4.2D-01 9p3 0.0201866 0.4584935 1.0633836** 1.75D-01 9f1 0.0120371 -0.0233382 1.0767324** 3.98D-02 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-9.2D-06 <3sh|9s2>=-1.9D-06 < 1s|9s2>=-6.8D-06 1 -0.011122 2 0.110386 3 0.226917 4 -0.090660 5 -0.047311 6 0.099225 7 0.063499 8 0.034985 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.08D-01 *** CALCULATIONS FOR k^2 = 0.8200 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.012862 2 0.151450 3 0.222828 4 -0.085952 5 -0.047087 6 0.097467 7 0.061547 8 0.034144 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-9.23050E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.82639E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.57205E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77104E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.64923E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.04769E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.14118E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.12490E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 109points in CSOLVE. End of range: 17.725424121462 au. kpc 0.2310780 0.4369610 0.9860792 c 9.59D-02 9p1 10.1968432 0.4366877 4.7261129** 4.35D-01 ED = -0.074515; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.6D-01 < 1s|9s1>= 1.2D-01 9s1 0.0000308 -0.0434949 24.0624486** 2.08D-01 ED = -0.073072; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1864615 0.9426141** 2.33D-02 <2ph|9p2>=-1.0D+00 9p2 0.0560271 -0.1909169 9.9278121** 6.92D-01 < 2s|9s2>=-9.0D-01 <3sh|9s2>=-4.6D-03 < 1s|9s2>= 4.0D-01 9s2 0.0673997 -0.8002028 24.2203767** 7.02D-01 <3dh|9d2>=-4.7D-01 9d2 0.0910253 0.1775889 1.1092278** 1.72D-01 <2ph|9p3>= 8.0D-01 9p3 0.0518950 0.3331750 2.0492977** 5.00D-01 9f1 0.0680982 -0.0313367 0.8226561** 1.24D-01 < 2s|9s1>= 2.2D-06 < 1s|9s1>= 1.6D-06 < 2s|9s2>= 7.0D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.2D-06 1 0.016197 2 -0.192234 3 0.234936 4 -0.067853 5 0.061684 6 0.098546 7 0.066663 8 0.028532 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.59D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 7.12505E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.28567E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.00219E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.30604E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.11753E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.95300E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.23108E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.76993E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2139642 0.4372354 1.0006280 c 8.00D-02 ED = -42.593833; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0060289 456.0418177** 5.58D-01 ED = -0.070283; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0575405 30.1100297** 2.05D-01 ED = -0.088769; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1909294 0.8771751** 1.75D-02 <2ph|9p2>=-1.0D+00 9p2 0.0554481 -0.1854134 17.0928963** 6.78D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.4D-01 < 1s|9s2>=-3.6D-01 9s2 0.0357541 1.2171384 2.8024520** 5.34D-01 <3dh|9d2>=-4.6D-01 9d2 0.0344394 0.1606468 1.2473514** 1.52D-01 <2ph|9p3>= 4.7D-02 9p3 0.0883214 0.3655030 0.9481693** 1.21D-01 9f1 0.0264019 -0.0275024 1.0911428** 5.66D-02 < 2s|9s1>=-1.3D-06 < 1s|9s1>=-9.9D-07 < 2s|9s2>= 3.1D-07 <3sh|9s2>= 6.2D-08 < 1s|9s2>= 2.3D-07 1 0.019368 2 0.140078 3 0.226798 4 -0.058250 5 0.117315 6 0.105408 7 0.066400 8 0.029697 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.00D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-9.97790E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.14625E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.14202E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.05701E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.75717E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.11770E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.06599E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.83833E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2271429 0.4359973 0.9971682 c 5.80D-02 9p1 6.6229669 -0.3728453 4.6406205** 4.34D-01 ED = -0.068464; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0607054 35.3122968** 2.01D-01 ED = -0.090289; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1882253 0.9171876** 9.55D-03 <2ph|9p2>=-1.0D+00 9p2 0.0737309 -0.1842820 85.2800752** 5.94D-01 < 2s|9s2>= 8.9D-01 <3sh|9s2>=-1.1D-01 < 1s|9s2>=-4.1D-01 9s2 0.0644216 0.7513606 9.4100026** 6.02D-01 <3dh|9d2>=-3.5D-01 9d2 0.0779431 0.1901376 0.9779431** 1.94D-01 <2ph|9p3>= 9.6D-01 9p3 0.0349629 0.2600339 4.6563845** 6.69D-01 9f1 0.0798306 -0.0309965 0.9463001** 5.83D-02 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.0D-06 < 2s|9s2>=-8.1D-06 <3sh|9s2>=-1.6D-06 < 1s|9s2>=-6.0D-06 1 -0.021722 2 -0.158415 3 0.231848 4 0.044296 5 -0.055126 6 0.092558 7 0.055718 8 0.029804 LEAST SELF-CONSISTENT FUNCTION IS 9s2 :WEIGHTED MAXIMUM CHANGE = 7.06D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 8.82321E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.77358E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.15209E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.45828E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.51845E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.42434E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.02668E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.42575E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2080875 0.4355487 0.9989711 c 9.16D-02 ED = -31.973902; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0066816 336.9073605** 5.58D-01 ED = -0.069901; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0575368 34.7545798** 2.01D-01 ED = -0.087229; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1947051 0.8733393** 2.26D-02 <2ph|9p2>= 9.8D-01 9p2 0.0292255 0.1854128 9.7229391** 5.18D-01 < 2s|9s2>=-5.7D-01 <3sh|9s2>=-7.5D-01 < 1s|9s2>= 2.7D-01 9s2 0.0242962 -1.1373407 4.0802040** 5.67D-01 <3dh|9d2>=-5.9D-01 9d2 0.0452047 0.1461358 1.4261454** 2.26D-01 <2ph|9p3>= 1.9D-01 9p3 0.1515489 0.4260157 0.9469759** 2.95D-01 ED = -0.000144; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0219998 1.3054808** 1.18D-01 < 2s|9s1>=-1.4D-06 < 1s|9s1>=-1.0D-06 < 2s|9s2>=-2.6D-07 <3sh|9s2>=-5.2D-08 < 1s|9s2>=-1.9D-07 1 -0.018441 2 0.140796 3 0.220244 4 0.071167 5 -0.074024 6 0.105460 7 0.062208 8 0.034524 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.16D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-9.87844E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.12629E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.98185E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.12132E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-9.64888E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.33738E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.68680E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.57121E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2280690 0.4357218 1.0003975 c 8.76D-02 9p1 7.0024262 0.3814941 4.6360190** 4.32D-01 ED = -0.068540; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0611755 32.9332250** 2.03D-01 ED = -0.090906; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1847104 0.9617854** 3.32D-02 <2ph|9p2>= 1.0D+00 9p2 0.0603112 0.1900791 15.3042864** 6.48D-01 < 2s|9s2>=-8.9D-01 <3sh|9s2>= 1.6D-01 < 1s|9s2>= 4.1D-01 9s2 0.0511086 -0.9442328 4.8928372** 6.91D-01 <3dh|9d2>=-1.9D-01 9d2 0.0608615 0.1949253 0.9659333** 9.65D-02 <2ph|9p3>=-8.2D-01 9p3 0.0458599 0.0297934 2.0809319** 5.33D-01 9f1 0.0686595 -0.0323012 0.7928561** 1.35D-01 < 2s|9s1>= 1.5D-06 < 1s|9s1>= 1.1D-06 < 2s|9s2>= 2.2D-06 <3sh|9s2>= 4.5D-07 < 1s|9s2>= 1.6D-06 1 0.022078 2 -0.171262 3 0.237731 4 0.059672 5 0.005464 6 0.101059 7 0.069043 8 0.028221 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.76D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 7.90443E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.57117E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.92644E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.32828E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.54364E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.47497E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.29543E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.93680E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2050268 0.4377887 1.0047436 c 1.12D-01 ED = -31.439615; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0062958 305.3251651** 5.62D-01 ED = -0.070278; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.3D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0557885 33.5738668** 2.01D-01 ED = -0.086140; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1877474 0.8836372** 1.48D-02 <2ph|9p2>= 1.0D+00 9p2 0.0641487 0.1886086 28.6800618** 6.49D-01 < 2s|9s2>= 6.4D-01 <3sh|9s2>=-5.0D-01 < 1s|9s2>=-2.7D-01 9s2 0.0157360 0.7552783 57.3859664** 5.04D-01 <3dh|9d2>=-3.6D-01 9d2 0.0363694 0.1829246 1.0756789** 1.34D-01 <2ph|9p3>=-6.4D-01 9p3 0.0632990 0.1470217 1.2066919** 3.60D-01 9f1 0.0277481 -0.0278586 1.0905453** 5.88D-02 < 2s|9s1>=-1.4D-06 < 1s|9s1>=-1.0D-06 < 2s|9s2>= 1.6D-07 <3sh|9s2>= 3.3D-08 < 1s|9s2>= 1.2D-07 <3dh|9d2>= 1.3D-10 1 0.036128 2 0.149132 3 0.231041 4 0.047364 5 0.103998 6 0.099390 7 0.063548 8 0.029667 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.12D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-9.28817E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.96068E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.05319E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.66657E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.65119E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.42575E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.18572E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.95460E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2250663 0.4372164 0.9986927 c 8.90D-02 9p1 3.6984170 -0.2938672 4.0968208** 4.30D-01 ED = -0.068120; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0596764 35.0831399** 2.00D-01 ED = -0.091423; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1865466 0.9111610** 1.86D-02 <2ph|9p2>=-1.0D+00 9p2 0.0778197 -0.18437121301.5403753** 4.95D-01 < 2s|9s2>= 5.6D-01 <3sh|9s2>=-7.6D-01 < 1s|9s2>=-2.5D-01 9s2 0.0312180 0.4306329 4.5269622** 4.47D-01 <3dh|9d2>= 1.4D-01 9d2 0.0126059 0.2024692 1.0060401** 1.04D-01 <2ph|9p3>= 1.3D-01 9p3 0.0337290 0.3994001 1.2802074** 2.71D-01 9f1 0.0423277 -0.0280510 1.0343960** 5.09D-02 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.0D-06 < 2s|9s2>= 6.6D-08 <3sh|9s2>= 1.3D-08 < 1s|9s2>= 4.8D-08 1 -0.033972 2 -0.141565 3 0.232735 4 0.093747 5 0.059761 6 0.093065 7 0.078453 8 0.031648 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.90D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 9.91804E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.10120E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.86764E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.26503E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.41388E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.09212E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.33297E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.22796E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1982170 0.4339025 0.9924205 c 1.35D-01 ED = -20.636664; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0075243 200.0349079** 5.60D-01 ED = -0.069197; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0616174 33.5539752** 2.01D-01 ED = -0.091671; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1942676 0.8637385** 2.70D-02 <2ph|9p2>= 9.9D-01 9p2 0.0455368 0.1936892 5.9642137** 5.04D-01 < 2s|9s2>=-7.4D-01 <3sh|9s2>= 4.7D-01 < 1s|9s2>= 3.4D-01 9s2 0.1066034 -0.2023104 6.4683241** 3.99D-01 <3dh|9d2>=-6.8D-01 9d2 0.0467589 0.1314908 1.5413673** 2.48D-01 <2ph|9p3>=-9.0D-01 9p3 0.0081090 -0.0617474 2.8426809** 6.72D-01 9f1 0.0162176 -0.0266664 1.0039732** 6.29D-02 < 2s|9s1>=-1.4D-06 < 1s|9s1>=-1.0D-06 < 2s|9s2>= 1.5D-05 <3sh|9s2>= 3.1D-06 < 1s|9s2>= 1.1D-05 1 -0.010037 2 0.154613 3 0.220297 4 0.072601 5 0.073438 6 0.104881 7 0.078010 8 0.030550 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.35D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-8.96909E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.83409E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.41799E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.14993E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.50032E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.33443E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.87529E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.96189E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2288820 0.4356717 1.0040774 c 1.34D-01 9p1 13.6668149 0.4703730 4.6125880** 4.24D-01 ED = -0.069113; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0569919 32.5115174** 1.99D-01 ED = -0.087732; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1890003 0.9398996** 1.85D-02 <2ph|9p2>= 1.0D+00 9p2 0.0556630 0.1877121 12.6494339** 7.01D-01 < 2s|9s2>= 9.0D-01 <3sh|9s2>=-3.3D-02 < 1s|9s2>=-4.1D-01 9s2 0.0538518 1.0800465 3.7334624** 6.60D-01 <3dh|9d2>=-3.2D-01 9d2 0.0568622 0.1864705 1.0072937** 1.41D-01 <2ph|9p3>=-4.0D-01 9p3 0.0787667 0.2474176 0.9163569** 2.09D-01 9f1 0.0473617 -0.0317183 0.9082632** 5.31D-02 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.0D-06 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.2D-08 < 1s|9s2>=-1.6D-07 1 0.015071 2 -0.152784 3 0.230659 4 0.064996 5 0.057606 6 0.100852 7 0.067496 8 0.027967 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.34D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 8.99408E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.87999E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.47136E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.27782E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.12254E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.24673E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.12714E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.78146E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2118461 0.4366548 1.0022566 c 8.04D-02 ED = -45.694208; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0065838 452.1686792** 5.61D-01 ED = -0.070090; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0566555 35.1039385** 1.99D-01 ED = -0.085483; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1880268 0.9070062** 6.06D-03 <2ph|9p2>= 1.0D+00 9p2 0.0666041 0.1865136 28.2662168** 6.32D-01 < 2s|9s2>= 8.8D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-4.0D-01 9s2 0.0708260 0.6511586 311.1482503** 5.66D-01 <3dh|9d2>=-3.6D-01 9d2 0.0625868 0.1865762 1.0469683** 1.56D-01 <2ph|9p3>= 2.0D-01 9p3 0.0512010 0.3622922 1.0208959** 1.46D-01 9f1 0.0636992 -0.0308268 1.0041220** 1.92D-02 < 2s|9s1>=-1.4D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-7.1D-06 <3sh|9s2>=-1.4D-06 < 1s|9s2>=-5.3D-06 1 0.013081 2 0.152434 3 0.230408 4 0.023398 5 -0.070352 6 0.096093 7 0.062705 8 0.027929 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.04D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-9.12464E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89098E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.01587E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.19106E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.14053E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.51138E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.75634E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.38675E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2269684 0.4367379 1.0001903 c 6.66D-02 9p1 10.4429377 -0.4356632 4.5556122** 4.24D-01 ED = -0.068750; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0598004 34.9304521** 2.01D-01 ED = -0.088102; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1898998 0.8983395** 1.43D-02 <2ph|9p2>=-9.9D-01 9p2 0.1064134 -0.1848910 30.3698652** 5.17D-01 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 8.1D-01 < 1s|9s2>= 8.9D-02 9s2 0.0134848 -0.2153864 5.5327596** 4.27D-01 <3dh|9d2>=-1.9D-01 9d2 0.0268226 0.1960931 1.0564958** 8.31D-02 <2ph|9p3>= 4.0D-01 9p3 0.0481981 0.4490988 1.1831378** 2.87D-01 9f1 0.0428723 -0.0290255 1.0594693** 3.82D-02 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.0D-06 < 2s|9s2>= 7.3D-07 <3sh|9s2>= 1.5D-07 < 1s|9s2>= 5.4D-07 1 -0.019790 2 -0.136104 3 0.225906 4 0.089452 5 -0.098565 6 0.094015 7 0.069550 8 0.029581 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.66D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 1.04117E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.22504E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.37310E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 8.06032E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-9.39546E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.47363E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.14025E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.03887E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2128341 0.4332868 0.9920980 c 6.64D-02 ED = -34.943176; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073625 359.3977422** 5.58D-01 ED = -0.069086; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0630411 33.3221154** 2.03D-01 ED = -0.091083; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1939701 0.8890462** 1.44D-02 <2ph|9p2>= 9.9D-01 9p2 0.0405022 0.1893343 5.1803258** 6.34D-01 < 2s|9s2>= 7.9D-01 <3sh|9s2>=-3.8D-01 < 1s|9s2>=-3.6D-01 9s2 0.0892476 0.3167721 5.2514559** 4.11D-01 <3dh|9d2>=-6.2D-01 9d2 0.0547875 0.1458844 1.3801801** 2.08D-01 <2ph|9p3>= 7.2D-01 9p3 0.0436087 0.3555403 1.7021345** 4.06D-01 9f1 0.0460563 -0.0291834 0.9879050** 5.81D-02 < 2s|9s1>=-1.4D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-1.1D-05 <3sh|9s2>=-2.1D-06 < 1s|9s2>=-7.9D-06 1 -0.007790 2 0.159372 3 0.221683 4 0.070413 5 -0.073609 6 0.104249 7 0.070721 8 0.029111 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.64D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-8.65675E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.74764E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.50601E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.13988E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.61151E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.31383E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.34730E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.82592E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2285047 0.4359613 1.0061725 c 6.86D-02 9p1 17.0583142 0.4964074 4.8209739** 4.27D-01 ED = -0.069568; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0569823 31.4206835** 2.02D-01 ED = -0.086181; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1891165 0.9346854** 2.13D-02 <2ph|9p2>= 1.0D+00 9p2 0.0582256 0.1864806 15.4045709** 7.02D-01 < 2s|9s2>=-9.0D-01 <3sh|9s2>= 3.1D-02 < 1s|9s2>= 4.1D-01 9s2 0.0546138 -1.1018530 3.6036267** 6.52D-01 <3dh|9d2>=-3.2D-01 9d2 0.0554440 0.1853921 1.0202630** 1.42D-01 <2ph|9p3>=-6.0D-01 9p3 0.0821777 0.1631988 1.1500789** 2.60D-01 9f1 0.0508894 -0.0313224 0.9611237** 5.48D-02 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.1D-06 < 2s|9s2>= 1.0D-07 <3sh|9s2>= 2.1D-08 < 1s|9s2>= 7.9D-08 1 0.013555 2 -0.155775 3 0.230758 4 0.057879 5 -0.065014 6 0.100873 7 0.067344 8 0.028030 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.86D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 8.82608E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.82688E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.55865E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.13839E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-9.63482E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.76725E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.37725E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.54423E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2127772 0.4366894 1.0016701 c 7.39D-02 ED = -50.739921; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0065186 505.5129604** 5.60D-01 ED = -0.069983; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0574136 34.8276733** 2.01D-01 ED = -0.086299; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1883308 0.9050710** 3.54D-03 <2ph|9p2>= 1.0D+00 9p2 0.0724846 0.1850612 70.8960483** 6.03D-01 < 2s|9s2>=-8.9D-01 <3sh|9s2>= 1.1D-01 < 1s|9s2>= 4.1D-01 9s2 0.0676893 -0.6840928 44.4590122** 5.84D-01 <3dh|9d2>=-3.5D-01 9d2 0.0637131 0.1895283 1.0299849** 1.64D-01 <2ph|9p3>= 6.5D-01 9p3 0.0470989 0.3787876 1.3351601** 3.34D-01 9f1 0.0617006 -0.0306171 1.0096916** 4.05D-02 < 2s|9s1>=-1.4D-06 < 1s|9s1>=-1.0D-06 < 2s|9s2>= 7.3D-06 <3sh|9s2>= 1.5D-06 < 1s|9s2>= 5.5D-06 1 0.015332 2 0.149315 3 0.229563 4 -0.033026 5 0.065182 6 0.093058 7 0.058675 8 0.028252 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.39D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-9.39616E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.94932E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.31082E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.28919E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.57715E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.79312E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.86108E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.17999E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2270539 0.4357977 0.9979581 c 6.29D-02 9p1 8.8512174 -0.4176647 4.5222652** 4.25D-01 ED = -0.068571; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0606797 34.5572477** 2.01D-01 ED = -0.089057; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1922234 0.8895085** 2.09D-02 <2ph|9p2>=-9.7D-01 9p2 0.0250332 -0.1871884 11.6100858** 5.18D-01 < 2s|9s2>= 8.3D-01 <3sh|9s2>= 3.7D-01 < 1s|9s2>=-3.9D-01 9s2 0.0332595 1.2466067 3.2898851** 6.29D-01 <3dh|9d2>=-5.4D-01 9d2 0.0430925 0.1569853 1.3232759** 1.95D-01 <2ph|9p3>= 4.1D-01 9p3 0.1027040 0.4445264 1.0791688** 2.61D-01 9f1 0.0342480 -0.0289303 1.0476113** 3.49D-02 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.0D-06 < 2s|9s2>= 3.0D-07 <3sh|9s2>= 6.1D-08 < 1s|9s2>= 2.3D-07 1 -0.019616 2 -0.145596 3 0.224084 4 -0.073147 5 0.069525 6 0.102711 7 0.064699 8 0.029400 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.29D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 9.54724E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.01692E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.08813E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.13851E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.11624E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.50446E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.76798E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.92504E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2119708 0.4350877 0.9983709 c 7.12D-02 ED = -35.268769; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0066524 366.3442423** 5.59D-01 ED = -0.069671; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.5D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0595852 33.4546837** 2.03D-01 ED = -0.088851; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1899733 0.9196992** 1.69D-02 <2ph|9p2>=-1.0D+00 9p2 0.0559193 -0.1895853 12.1180255** 6.63D-01 < 2s|9s2>= 8.9D-01 <3sh|9s2>=-1.5D-01 < 1s|9s2>=-4.1D-01 9s2 0.0486981 0.9982348 4.1580413** 6.75D-01 <3dh|9d2>=-2.5D-01 9d2 0.0507288 0.1909096 1.0072634** 1.02D-01 <2ph|9p3>=-6.5D-01 9p3 0.0482014 0.1313720 1.4836831** 4.03D-01 9f1 0.0564323 -0.0309898 0.9531810** 4.19D-02 < 2s|9s1>=-1.4D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>=-4.4D-07 <3sh|9s2>=-9.0D-08 < 1s|9s2>=-3.3D-07 1 -0.039154 2 0.162637 3 0.228320 4 -0.063915 5 0.042194 6 0.101075 7 0.068786 8 0.027818 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.12D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-8.38188E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.70359E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.26508E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.84428E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.54317E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.94945E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.46117E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.45563E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2244563 0.4376836 1.0059664 c 5.56D-02 9p1 3.2278342 0.2746527 4.2169428** 4.36D-01 ED = -0.068876; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0559936 32.0934227** 2.02D-01 ED = -0.089671; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1868073 0.9209161** 2.09D-02 <2ph|9p2>=-1.0D+00 9p2 0.0568433 -0.1896208 16.4320826** 6.79D-01 < 2s|9s2>= 8.9D-01 <3sh|9s2>=-1.5D-01 < 1s|9s2>=-4.0D-01 9s2 0.0520432 0.7898756 19.0690057** 5.10D-01 <3dh|9d2>=-3.8D-01 9d2 0.0542561 0.1836976 1.0622833** 1.46D-01 <2ph|9p3>=-6.0D-01 9p3 0.0508531 0.1626484 1.1722344** 3.37D-01 9f1 0.0467516 -0.0309223 1.0133915** 2.15D-02 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.1D-06 < 2s|9s2>=-8.3D-06 <3sh|9s2>=-1.7D-06 < 1s|9s2>=-6.2D-06 1 0.036089 2 -0.153842 3 0.234431 4 -0.058604 5 -0.051369 6 0.098246 7 0.066519 8 0.029456 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.56D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 8.98865E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.86360E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.50807E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.55471E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.46930E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.76433E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.72141E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.85127E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1982903 0.4367399 0.9978437 c 1.32D-01 ED = -19.480866; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0063852 202.6675124** 5.56D-01 ED = -0.069371; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.0D-01 9s1 0.0000308 0.0591287 36.8047257** 1.99D-01 ED = -0.089985; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1924753 0.8719224** 2.39D-02 <2ph|9p2>=-1.0D+00 9p2 0.0627582 -0.1873673 23.8295737** 6.27D-01 < 2s|9s2>=-5.8D-01 <3sh|9s2>= 4.4D-01 < 1s|9s2>= 2.7D-01 9s2 0.0288235 -0.9431249 3.5029716** 4.26D-01 <3dh|9d2>=-3.2D-01 9d2 0.0341422 0.1818312 1.1108496** 8.63D-02 <2ph|9p3>= 6.1D-01 9p3 0.0559072 0.3941023 1.3372669** 3.33D-01 9f1 0.0174418 -0.0258274 1.1228258** 6.51D-02 < 2s|9s1>=-1.3D-06 < 1s|9s1>=-9.7D-07 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 0.016700 2 0.142606 3 0.223995 4 -0.055195 5 -0.124092 6 0.101393 7 0.068652 8 0.031268 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.32D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-9.78643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.08595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.47165E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 6.65443E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.43888E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.99899E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.44094E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.61205E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2268814 0.4360636 0.9984515 c 1.26D-01 9p1 7.7587107 -0.3933738 4.6728905** 4.32D-01 ED = -0.068636; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0593563 34.9774010** 2.00D-01 ED = -0.090435; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1872632 0.9339575** 1.73D-02 <2ph|9p2>=-1.0D+00 9p2 0.0763235 -0.1843280 291.2689106** 5.89D-01 < 2s|9s2>=-8.9D-01 <3sh|9s2>= 1.1D-01 < 1s|9s2>= 4.1D-01 9s2 0.0646138 -0.7547001 8.5835202** 5.78D-01 <3dh|9d2>=-3.5D-01 9d2 0.0869052 0.1921897 1.0033089** 1.76D-01 <2ph|9p3>= 9.4D-01 9p3 0.0375270 0.2780570 3.4698322** 6.21D-01 9f1 0.0742572 -0.0311402 0.9041238** 5.43D-02 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.0D-06 < 2s|9s2>= 8.2D-06 <3sh|9s2>= 1.7D-06 < 1s|9s2>= 6.1D-06 1 -0.020422 2 -0.154743 3 0.232578 4 0.064915 5 0.053661 6 0.090942 7 0.054346 8 0.029511 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.26D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 9.08488E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.83839E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.54158E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.50217E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.92851E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.54430E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.11739E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.54236E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2098613 0.4349846 0.9975255 c 8.11D-02 ED = -33.960387; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0068946 357.3041929** 5.58D-01 ED = -0.069720; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0586216 34.6690463** 2.01D-01 ED = -0.087541; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1953745 0.8660393** 2.59D-02 <2ph|9p2>= 9.8D-01 9p2 0.0390548 0.1852514 8.0027077** 5.15D-01 < 2s|9s2>= 5.5D-01 <3sh|9s2>= 7.8D-01 < 1s|9s2>=-2.6D-01 9s2 0.0327737 0.9887857 5.8579954** 5.87D-01 <3dh|9d2>=-6.4D-01 9d2 0.0606270 0.1406051 1.4869679** 2.48D-01 <2ph|9p3>= 3.9D-01 9p3 0.1699709 0.4268366 1.0049384** 2.90D-01 9f1 0.0043141 -0.0252508 1.1463492** 1.50D-01 < 2s|9s1>=-1.4D-06 < 1s|9s1>=-1.0D-06 < 2s|9s2>= 1.2D-08 <3sh|9s2>= 2.3D-09 < 1s|9s2>= 8.5D-09 1 -0.032719 2 0.151478 3 0.220860 4 0.070579 5 0.049843 6 0.105732 7 0.060160 8 0.030821 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.11D-02 *** CALCULATIONS FOR k^2 = 0.8000 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.038655 2 0.232243 3 0.217691 4 0.065953 5 0.047354 6 0.104001 7 0.058020 8 0.030129 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-5.76373E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.90229E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.16767E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.65544E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.76479E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.30822E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.38283E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.87289E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 109points in CSOLVE. End of range: 17.725424121462 au. kpc 0.2213480 0.4319063 0.9929233 c 5.19D-02 9p1 3.1544332 0.2643037 4.3910552** 4.45D-01 ED = -0.052894; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0431630 22.5695034** 2.02D-01 ED = -0.060439; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1827372 0.9938875** 4.50D-02 <2ph|9p2>= 1.0D+00 9p2 0.0774252 0.18440306170.1305740** 6.66D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>= 1.0D-01 < 1s|9s2>= 4.0D-01 9s2 0.0717847 -0.6400156 720.0430428** 4.72D-01 <3dh|9d2>=-3.0D-01 9d2 0.0710450 0.1914459 0.9900014** 1.53D-01 <2ph|9p3>=-7.0D-01 9p3 0.1057287 0.1261616 1.4774473** 3.79D-01 9f1 0.0984432 -0.0327505 0.8992771** 1.18D-01 < 2s|9s1>= 1.8D-06 < 1s|9s1>= 1.3D-06 < 2s|9s2>= 7.0D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.2D-06 1 0.040185 2 -0.241426 3 0.235701 4 -0.074076 5 0.065701 6 0.093066 7 0.061935 8 0.028213 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.19D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 5.73482E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.87719E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.90527E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.22651E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.74385E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.87871E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.07297E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.31109E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1896985 0.4272752 0.9892775 c 1.67D-01 ED = -17.684475; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0066266 165.3039621** 5.59D-01 ED = -0.049275; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.3D-01 < 1s|9s1>=-1.0D-01 9s1 0.0000308 0.0625453 27.8254384** 1.99D-01 ED = -0.082909; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1955104 0.8499800** 5.21D-02 <2ph|9p2>=-9.9D-01 9p2 0.0450737 -0.1842462 12.7013316** 5.24D-01 < 2s|9s2>= 8.9D-01 <3sh|9s2>= 1.4D-02 < 1s|9s2>=-4.1D-01 9s2 0.0666699 0.7426924 27.0149247** 7.30D-01 <3dh|9d2>=-6.8D-01 9d2 0.0886952 0.1411337 1.4076747** 2.41D-01 <2ph|9p3>= 9.3D-01 9p3 0.0713725 0.2915299 3.2294478** 6.30D-01 9f1 0.0262272 -0.0289485 1.0397111** 6.55D-02 < 2s|9s1>=-1.2D-06 < 1s|9s1>=-8.6D-07 < 2s|9s2>=-6.9D-06 <3sh|9s2>=-1.4D-06 < 1s|9s2>=-5.1D-06 1 0.018813 2 0.221155 3 0.218594 4 -0.051102 5 -0.068060 6 0.098927 7 0.061078 8 0.027361 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.67D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-6.15077E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.04682E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70227E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.22884E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-9.73124E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.77704E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.61974E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.52583E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2218417 0.4294794 1.0051587 c 1.45D-01 9p1 7.2138468 -0.3749546 4.4646737** 4.29D-01 ED = -0.049342; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.3D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.0567422 28.7784971** 1.97D-01 ED = -0.075794; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1866556 0.9668775** 3.38D-02 <2ph|9p2>= 9.9D-01 9p2 0.0967922 0.1838583 28.7106124** 4.53D-01 < 2s|9s2>=-5.3D-02 <3sh|9s2>= 8.2D-01 < 1s|9s2>= 2.0D-02 9s2 0.0070374 0.0544716 14.2987351** 5.20D-01 <3dh|9d2>=-1.3D-02 9d2 0.0360444 0.2044011 0.9914947** 4.35D-02 <2ph|9p3>=-8.9D-01 9p3 0.0587650 -0.0103743 2.8212685** 4.46D-01 9f1 0.1023795 -0.0325915 0.9774857** 6.28D-02 < 2s|9s1>= 1.3D-06 < 1s|9s1>= 9.6D-07 < 2s|9s2>=-2.4D-06 <3sh|9s2>=-4.8D-07 < 1s|9s2>=-1.8D-06 <2ph|9p3>= 2.3D-10 1 -0.027405 2 -0.201500 3 0.227423 4 -0.106484 5 -0.069343 6 0.091597 7 0.079073 8 0.027558 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.45D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 6.92115E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.24734E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 7.77047E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.10406E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.37677E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.66265E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.65142E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.32962E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1997751 0.4257039 0.9912093 c 1.10D-01 ED = -25.616334; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0072546 228.8894102** 5.61D-01 ED = -0.049122; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0641370 28.1540775** 1.99D-01 ED = -0.080199; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1921699 0.8921385** 2.49D-02 <2ph|9p2>=-1.0D+00 9p2 0.0571008 -0.1892898 11.4104022** 6.17D-01 < 2s|9s2>= 5.4D-01 <3sh|9s2>=-7.1D-01 < 1s|9s2>=-2.4D-01 9s2 0.1486651 -0.1682039 3.4670421** 2.71D-01 <3dh|9d2>=-6.9D-01 9d2 0.0812738 0.1337635 1.5103817** 2.50D-01 <2ph|9p3>=-6.4D-01 9p3 0.0026616 -0.0344111 3.2432477** 6.14D-01 9f1 0.0879292 -0.0302538 1.0165450** 4.22D-02 < 2s|9s1>=-1.2D-06 < 1s|9s1>=-9.3D-07 < 2s|9s2>= 1.2D-05 <3sh|9s2>= 2.5D-06 < 1s|9s2>= 9.3D-06 1 -0.019145 2 0.244523 3 0.222404 4 -0.053442 5 -0.081352 6 0.103386 7 0.070809 8 0.028286 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.10D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-5.53654E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.84570E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.83454E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.02611E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.76807E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.15039E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.70011E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.05988E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2208421 0.4295309 1.0089898 c 9.54D-02 9p1 7.3519681 0.3760398 4.3147514** 4.24D-01 ED = -0.049604; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.0549036 27.5744453** 1.95D-01 ED = -0.074196; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1884535 0.9405407** 1.73D-02 <2ph|9p2>= 9.9D-01 9p2 0.0947969 0.1843526 33.5808928** 4.75D-01 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 8.7D-01 < 1s|9s2>= 4.7D-02 9s2 0.0151534 -0.0224548 8.0819822** 4.65D-01 <3dh|9d2>=-7.9D-03 9d2 0.0263966 0.2040520 0.9521670** 8.09D-02 <2ph|9p3>=-5.8D-01 9p3 0.0850391 0.2031732 1.1693448** 3.43D-01 9f1 0.0276982 -0.0291854 1.0640354** 7.61D-02 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.3D-07 < 2s|9s2>= 7.6D-06 <3sh|9s2>= 1.5D-06 < 1s|9s2>= 5.7D-06 1 0.027387 2 -0.192069 3 0.225148 4 -0.101142 5 -0.079309 6 0.091792 7 0.073631 8 0.029367 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.54D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 7.28817E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.35877E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.26940E-04 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.75547E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72922E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.20460E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.47555E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.79575E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2003016 0.4255929 0.9908318 c 1.03D-01 ED = -25.635012; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0072727 231.8731950** 5.59D-01 ED = -0.049061; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0634752 29.6435640** 1.96D-01 ED = -0.079258; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1917820 0.9040064** 1.45D-02 <2ph|9p2>=-1.0D+00 9p2 0.0579045 -0.1880676 11.7709175** 6.04D-01 < 2s|9s2>= 5.2D-01 <3sh|9s2>=-7.3D-01 < 1s|9s2>=-2.3D-01 9s2 0.1457289 -0.1985552 2.9640813** 2.92D-01 <3dh|9d2>=-6.8D-01 9d2 0.0833869 0.1362553 1.4828058** 2.42D-01 <2ph|9p3>= 9.9D-01 9p3 0.0238139 0.1961718 161.4008578** 7.31D-01 9f1 0.1248937 -0.0275003 1.0431529** 1.44D-01 < 2s|9s1>=-1.3D-06 < 1s|9s1>=-9.3D-07 < 2s|9s2>= 1.0D-05 <3sh|9s2>= 2.1D-06 < 1s|9s2>= 7.6D-06 1 0.016455 2 0.233106 3 0.223468 4 -0.040940 5 -0.080072 6 0.104001 7 0.000701 8 0.031628 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.03D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-5.85209E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.93597E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.20239E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.04439E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.01516E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.19205E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.50761E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.22176E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2195592 0.4291831 1.0084358 c 8.77D-02 9p1 8.4990117 -0.3946777 4.4082962** 4.24D-01 ED = -0.049622; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.4D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0578426 25.3669162** 2.00D-01 ED = -0.073775; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1844695 0.9568254** 2.66D-02 <2ph|9p2>= 9.9D-01 9p2 0.1012035 0.1829994 31.0920628** 4.88D-01 < 2s|9s2>=-2.0D-01 <3sh|9s2>= 8.6D-01 < 1s|9s2>= 8.5D-02 9s2 0.0208220 -0.1578746 5.5934793** 4.22D-01 <3dh|9d2>=-8.1D-02 9d2 0.0373511 0.1995670 0.9670523** 7.90D-02 <2ph|9p3>=-1.6D-01 9p3 0.9690873 0.3740035 30.7374293** 5.21D-01 9f1 0.0797158 -0.0264195 1.0433328** 4.75D-02 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.0D-06 < 2s|9s2>= 1.1D-06 <3sh|9s2>= 2.3D-07 < 1s|9s2>= 8.3D-07 1 -0.025694 2 -0.225756 3 0.230687 4 -0.095888 5 -0.083923 6 0.094235 7 0.056655 8 0.032907 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.77D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 6.13906E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.00964E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.01061E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.14809E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.55943E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.03509E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 9.76384E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.68814E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2009025 0.4265208 0.9937968 c 9.29D-02 ED = -27.282079; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069722 247.0887547** 5.60D-01 ED = -0.049355; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.0D-01 9s1 0.0000308 0.0627667 27.3379622** 2.00D-01 ED = -0.079628; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1915668 0.8862138** 2.40D-02 <2ph|9p2>=-9.9D-01 9p2 0.0508093 -0.1856838 11.0063185** 6.12D-01 < 2s|9s2>= 5.8D-01 <3sh|9s2>=-6.8D-01 < 1s|9s2>=-2.6D-01 9s2 0.1358557 -0.1036273 3.0573606** 2.98D-01 <3dh|9d2>=-7.1D-01 9d2 0.0743271 0.1260302 1.5638862** 2.70D-01 <2ph|9p3>= 4.5D-01 9p3 0.0776890 0.3410053 1.5538698** 2.97D-01 9f1 0.0165852 -0.0272967 0.9553065** 2.00D-01 < 2s|9s1>=-1.2D-06 < 1s|9s1>=-9.1D-07 < 2s|9s2>= 2.2D-05 <3sh|9s2>= 4.5D-06 < 1s|9s2>= 1.7D-05 1 -0.019853 2 0.230509 3 0.223287 4 -0.051074 5 -0.079773 6 0.105101 7 0.066137 8 0.028817 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.29D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-5.89174E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.96157E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.03398E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.05331E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.53507E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.22065E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.38576E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.63648E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2221254 0.4291167 1.0060861 c 9.55D-02 9p1 7.0324782 0.3711705 4.3276180** 4.25D-01 ED = -0.049242; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.3D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.0579645 27.9000818** 1.98D-01 ED = -0.075937; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1870892 0.9417813** 1.21D-02 <2ph|9p2>= 9.9D-01 9p2 0.0981542 0.1844130 28.1682358** 4.81D-01 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 8.7D-01 < 1s|9s2>= 5.5D-02 9s2 0.0153658 -0.0369258 7.7358954** 4.64D-01 <3dh|9d2>= 2.2D-02 9d2 0.0295956 0.2057169 0.9243730** 9.20D-02 <2ph|9p3>=-7.2D-01 9p3 0.0578830 0.1186081 1.6399522** 3.67D-01 9f1 0.0636667 -0.0311102 0.9701755** 6.49D-02 < 2s|9s1>= 1.3D-06 < 1s|9s1>= 9.4D-07 < 2s|9s2>= 5.0D-06 <3sh|9s2>= 1.0D-06 < 1s|9s2>= 3.7D-06 1 0.027604 2 -0.199489 3 0.226951 4 -0.100800 5 -0.083289 6 0.091222 7 0.077119 8 0.028193 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.55D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 6.99973E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.26658E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.66905E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.31911E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.99010E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.04655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.02825E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.50179E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2003319 0.4256494 0.9919199 c 1.09D-01 ED = -25.433948; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0072125 230.5739990** 5.60D-01 ED = -0.049211; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0630211 28.5409658** 1.98D-01 ED = -0.078847; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1924322 0.8930601** 2.11D-02 <2ph|9p2>=-1.0D+00 9p2 0.0554895 -0.1883480 11.0426992** 6.24D-01 < 2s|9s2>= 5.5D-01 <3sh|9s2>=-7.0D-01 < 1s|9s2>=-2.4D-01 9s2 0.1401764 -0.1629279 2.9074244** 2.90D-01 <3dh|9d2>=-6.9D-01 9d2 0.0774811 0.1336895 1.5198623** 2.49D-01 <2ph|9p3>=-9.7D-01 9p3 0.0156048 -0.1288384 5.3000759** 7.67D-01 9f1 0.0612338 -0.0301425 1.0055232** 1.21D-01 < 2s|9s1>=-1.3D-06 < 1s|9s1>=-9.3D-07 < 2s|9s2>= 1.3D-05 <3sh|9s2>= 2.6D-06 < 1s|9s2>= 9.5D-06 1 0.016743 2 0.235125 3 0.221099 4 -0.052582 5 -0.082438 6 0.102139 7 0.075525 8 0.026995 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.09D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-5.74914E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.91737E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.60335E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.01977E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.97112E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.10017E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.24110E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.32585E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2221732 0.4290641 1.0080223 c 9.83D-02 9p1 8.3430703 -0.3926418 4.3996118** 4.25D-01 ED = -0.049494; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.3D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.0562231 27.3307880** 1.97D-01 ED = -0.074585; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1886358 0.9415595** 1.42D-02 <2ph|9p2>= 9.9D-01 9p2 0.0946681 0.1840669 33.2523621** 4.82D-01 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 8.7D-01 < 1s|9s2>= 5.6D-02 9s2 0.0176469 -0.0501684 7.1423152** 4.53D-01 <3dh|9d2>= 4.1D-02 9d2 0.0274682 0.2121539 0.9217287** 9.95D-02 <2ph|9p3>=-6.5D-01 9p3 0.0709198 0.1631541 1.2652652** 2.44D-01 9f1 0.0698256 -0.0325420 0.9908371** 1.14D-01 < 2s|9s1>= 1.3D-06 < 1s|9s1>= 9.4D-07 < 2s|9s2>= 3.8D-06 <3sh|9s2>= 7.7D-07 < 1s|9s2>= 2.8D-06 1 -0.025537 2 -0.196930 3 0.224862 4 -0.100605 5 -0.083271 6 0.088912 7 0.077353 8 0.027217 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.83D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 7.09046E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.29673E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.60995E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.33722E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.80123E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.04635E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.70140E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.42382E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2019406 0.4257038 0.9921683 c 1.00D-01 ED = -27.443153; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0071649 250.3603280** 5.59D-01 ED = -0.049250; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0626531 28.8334008** 1.97D-01 ED = -0.078165; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1926705 0.9006754** 1.54D-02 <2ph|9p2>=-1.0D+00 9p2 0.0576593 -0.1877985 12.0584443** 6.05D-01 < 2s|9s2>= 5.2D-01 <3sh|9s2>=-7.3D-01 < 1s|9s2>=-2.3D-01 9s2 0.1447400 -0.2081000 2.8363979** 2.97D-01 <3dh|9d2>=-7.0D-01 9d2 0.0807026 0.1331228 1.5652795** 2.65D-01 <2ph|9p3>=-9.5D-01 9p3 0.0147279 -0.1127824 4.4151219** 7.49D-01 9f1 0.0821756 -0.0309703 1.0123138** 8.97D-02 < 2s|9s1>=-1.3D-06 < 1s|9s1>=-9.4D-07 < 2s|9s2>= 9.6D-06 <3sh|9s2>= 1.9D-06 < 1s|9s2>= 7.1D-06 1 -0.016803 2 0.237909 3 0.221036 4 -0.048347 5 -0.082811 6 0.101843 7 0.075314 8 0.026943 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.00D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-5.68002E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.89614E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.98829E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.01290E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.59648E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.08764E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.84236E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.28599E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2217436 0.4291830 1.0081728 c 8.93D-02 9p1 8.2836015 0.3915667 4.4134746** 4.25D-01 ED = -0.049521; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.3D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.0561164 27.4820064** 1.97D-01 ED = -0.074802; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1887452 0.9421692** 1.49D-02 <2ph|9p2>= 9.9D-01 9p2 0.1003956 0.1844342 27.4282611** 4.92D-01 < 2s|9s2>=-1.4D-01 <3sh|9s2>= 8.6D-01 < 1s|9s2>= 6.1D-02 9s2 0.0171048 -0.0714874 6.8185465** 4.47D-01 <3dh|9d2>=-2.8D-02 9d2 0.0291408 0.2089045 0.9374433** 9.81D-02 <2ph|9p3>=-6.5D-01 9p3 0.0739187 0.1647416 1.2366522** 2.53D-01 9f1 0.0645765 -0.0322828 1.0022682** 8.75D-02 < 2s|9s1>= 1.3D-06 < 1s|9s1>= 9.3D-07 < 2s|9s2>= 2.5D-06 <3sh|9s2>= 5.0D-07 < 1s|9s2>= 1.8D-06 1 0.025988 2 -0.195483 3 0.224632 4 -0.099135 5 -0.083575 6 0.090013 7 0.075535 8 0.027354 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.93D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 7.14996E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.31456E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.46441E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.30212E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.84132E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.03657E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.49770E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.50001E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2018253 0.4256955 0.9918740 c 9.87D-02 ED = -26.975568; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0071936 245.8654455** 5.59D-01 ED = -0.049197; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0628186 29.1276187** 1.97D-01 ED = -0.078468; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1926316 0.9017721** 1.47D-02 <2ph|9p2>=-1.0D+00 9p2 0.0561484 -0.1881327 11.2862418** 6.29D-01 < 2s|9s2>= 5.4D-01 <3sh|9s2>=-7.0D-01 < 1s|9s2>=-2.4D-01 9s2 0.1404366 -0.1756480 2.8418659** 2.92D-01 <3dh|9d2>=-6.8D-01 9d2 0.0794891 0.1358015 1.5185938** 2.52D-01 <2ph|9p3>=-9.9D-01 9p3 0.0226098 -0.1854054 35.7982956** 8.36D-01 9f1 0.1014024 -0.0224457 1.3874109** 3.18D-01 < 2s|9s1>=-1.3D-06 < 1s|9s1>=-9.4D-07 < 2s|9s2>= 1.2D-05 <3sh|9s2>= 2.4D-06 < 1s|9s2>= 8.7D-06 1 0.013395 2 0.217404 3 0.221370 4 -0.036218 5 -0.080533 6 0.101491 7 0.067508 8 0.033769 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.87D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-6.29988E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.07139E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.68462E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.05074E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.23364E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.16118E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.74050E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.71588E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2204556 0.4283923 1.0063350 c 8.45D-02 9p1 10.4376364 -0.4208214 4.4859635** 4.23D-01 ED = -0.049423; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.0608326 24.0619101** 2.01D-01 ED = -0.074512; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1873112 0.9446670** 1.61D-02 <2ph|9p2>= 9.9D-01 9p2 0.0963651 0.1814541 41.7945194** 4.92D-01 < 2s|9s2>=-3.1D-01 <3sh|9s2>= 8.3D-01 < 1s|9s2>= 1.4D-01 9s2 0.0281184 -0.3031292 4.4527798** 3.74D-01 <3dh|9d2>=-5.6D-02 9d2 0.0393908 0.2114706 0.9245014** 1.06D-01 <2ph|9p3>= 1.7D-01 9p3 0.0729943 0.4238990 1.0540325** 2.88D-01 ED = -0.009647; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0256838 1.0307150** 3.53D-01 < 2s|9s1>= 1.4D-06 < 1s|9s1>= 1.1D-06 < 2s|9s2>= 3.8D-07 <3sh|9s2>= 7.7D-08 < 1s|9s2>= 2.8D-07 1 -0.022942 2 -0.243212 3 0.225730 4 -0.097841 5 -0.090095 6 0.089795 7 0.074580 8 0.031705 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.45D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 5.61445E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.86274E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.49600E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 8.62915E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.05943E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.81680E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 9.16767E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.37049E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2029299 0.4267838 0.9962453 c 8.64D-02 ED = -30.467771; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064725 281.8862774** 5.59D-01 ED = -0.049645; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.3D-01 < 1s|9s1>=-1.0D-01 9s1 0.0000308 0.0611462 25.5441782** 2.00D-01 ED = -0.080045; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1902615 0.9101160** 1.46D-02 <2ph|9p2>=-1.0D+00 9p2 0.0519394 -0.1856403 12.1290781** 5.87D-01 < 2s|9s2>= 5.5D-01 <3sh|9s2>=-7.0D-01 < 1s|9s2>=-2.5D-01 9s2 0.1351913 -0.1429509 2.9219126** 3.04D-01 <3dh|9d2>=-7.3D-01 9d2 0.0778269 0.1243244 1.6615040** 2.99D-01 <2ph|9p3>=-8.2D-01 9p3 0.0268016 -0.0328495 2.5156788** 6.49D-01 9f1 0.0877714 -0.0311186 0.8689022** 1.23D-01 < 2s|9s1>=-1.2D-06 < 1s|9s1>=-9.1D-07 < 2s|9s2>= 1.5D-05 <3sh|9s2>= 3.1D-06 < 1s|9s2>= 1.1D-05 1 -0.021004 2 0.227959 3 0.225178 4 -0.045407 5 -0.081940 6 0.102989 7 0.071784 8 0.027464 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.64D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-5.96597E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.98612E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.80589E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.02936E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.07761E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.13817E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.54503E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.30921E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2219243 0.4291117 1.0054545 c 8.56D-02 9p1 6.5590467 0.3624399 4.3528385** 4.27D-01 ED = -0.049190; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.3D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.0575083 28.8356482** 1.96D-01 ED = -0.075061; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1885960 0.9264565** 1.15D-02 <2ph|9p2>= 9.9D-01 9p2 0.1040292 0.1848044 24.3439130** 4.94D-01 < 2s|9s2>=-1.7D-01 <3sh|9s2>= 8.6D-01 < 1s|9s2>= 7.5D-02 9s2 0.0173451 -0.1019286 6.4804063** 4.38D-01 <3dh|9d2>=-6.2D-02 9d2 0.0278790 0.2035177 0.9497840** 9.84D-02 <2ph|9p3>=-6.4D-01 9p3 0.0721448 0.1717433 1.2609131** 3.06D-01 9f1 0.0476117 -0.0307538 1.0265324** 4.95D-02 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.2D-07 < 2s|9s2>= 1.6D-06 <3sh|9s2>= 3.3D-07 < 1s|9s2>= 1.2D-06 1 0.028578 2 -0.195679 3 0.224816 4 -0.097309 5 -0.084943 6 0.091801 7 0.074173 8 0.028275 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.56D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 7.14502E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.31088E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.16624E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.15304E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.89247E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.98731E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.07464E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.47488E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1998657 0.4256546 0.9919435 c 1.10D-01 ED = -24.584368; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0072218 223.4026692** 5.59D-01 ED = -0.049204; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0627991 29.1232718** 1.97D-01 ED = -0.078954; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1925092 0.9015186** 1.74D-02 <2ph|9p2>=-1.0D+00 9p2 0.0541364 -0.1884870 10.5227672** 6.46D-01 < 2s|9s2>= 5.7D-01 <3sh|9s2>=-6.7D-01 < 1s|9s2>=-2.5D-01 9s2 0.1349711 -0.1392070 2.8314105** 2.88D-01 <3dh|9d2>=-6.7D-01 9d2 0.0776659 0.1385609 1.4621211** 2.34D-01 <2ph|9p3>= 9.6D-01 9p3 0.0283631 0.2323179 7.8148675** 6.67D-01 9f1 0.0930062 -0.0290298 1.0335752** 1.10D-01 < 2s|9s1>=-1.3D-06 < 1s|9s1>=-9.3D-07 < 2s|9s2>= 1.5D-05 <3sh|9s2>= 3.1D-06 < 1s|9s2>= 1.1D-05 1 0.018681 2 0.242199 3 0.222123 4 -0.058105 5 -0.080907 6 0.103756 7 0.064207 8 0.030433 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.10D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-5.59392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.86395E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.47159E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.02946E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.26687E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.16721E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.40363E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.06718E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2212166 0.4295098 1.0090571 c 9.65D-02 9p1 7.4371333 -0.3777755 4.3751316** 4.25D-01 ED = -0.049616; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.3D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.0558080 27.2758999** 1.97D-01 ED = -0.074396; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1870947 0.9493587** 2.46D-02 <2ph|9p2>= 1.0D+00 9p2 0.0918668 0.1845641 37.0007702** 4.76D-01 < 2s|9s2>=-9.2D-02 <3sh|9s2>= 8.8D-01 < 1s|9s2>= 3.7D-02 9s2 0.0141465 0.0113714 8.7170736** 4.74D-01 <3dh|9d2>= 4.0D-02 9d2 0.0266084 0.2016374 0.9636489** 8.53D-02 <2ph|9p3>=-8.2D-01 9p3 0.0664251 0.0558315 1.9768425** 4.00D-01 9f1 0.0178134 -0.0267202 1.0848763** 8.89D-02 < 2s|9s1>= 1.3D-06 < 1s|9s1>= 9.5D-07 < 2s|9s2>=-1.7D-05 <3sh|9s2>=-3.4D-06 < 1s|9s2>=-1.3D-05 1 -0.026923 2 -0.195983 3 0.227206 4 -0.102375 5 -0.080621 6 0.092558 7 0.076648 8 0.031151 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.65D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 7.14360E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.31082E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.65076E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.61152E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.89294E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.15251E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.92831E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.72184E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2004833 0.4255010 0.9906667 c 1.03D-01 ED = -26.067399; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0072765 235.7550965** 5.60D-01 ED = -0.049021; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.4D-01 < 1s|9s1>=-1.1D-01 9s1 0.0000308 0.0642137 28.9429892** 1.98D-01 ED = -0.079753; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1910398 0.8985368** 2.36D-02 <2ph|9p2>=-1.0D+00 9p2 0.0581889 -0.1880634 12.1375814** 5.94D-01 < 2s|9s2>= 5.2D-01 <3sh|9s2>=-7.3D-01 < 1s|9s2>=-2.3D-01 9s2 0.1463099 -0.1947602 2.9716224** 2.93D-01 <3dh|9d2>=-6.9D-01 9d2 0.0831857 0.1345729 1.4860052** 2.40D-01 <2ph|9p3>=-9.4D-01 9p3 0.0117833 -0.1135265 4.5027770** 7.48D-01 9f1 0.0621685 -0.0301949 0.9106878** 1.22D-01 < 2s|9s1>=-1.2D-06 < 1s|9s1>=-9.3D-07 < 2s|9s2>= 1.0D-05 <3sh|9s2>= 2.1D-06 < 1s|9s2>= 7.7D-06 1 -0.017368 2 0.240802 3 0.223114 4 -0.049192 5 -0.082584 6 0.102333 7 0.075869 8 0.027360 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.03D-01 *** CALCULATIONS FOR k^2 = 0.7800 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.023873 2 0.496344 3 0.221851 4 -0.042982 5 -0.083693 6 0.103104 7 0.067873 8 0.027013 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-2.54410E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-9.15545E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.66481E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.67999E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-8.38130E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.09270E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.01359E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.94145E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 109points in CSOLVE. End of range: 17.725424121462 au. kpc 0.2143428 0.4262173 1.0016835 c 6.47D-02 9p1 5.5457961 0.3253736 4.4623549** 4.27D-01 ED = -0.031796; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.0475372 16.4268051** 1.95D-01 ED = -0.057850; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1847932 0.9642552** 3.25D-02 <2ph|9p2>= 1.0D+00 9p2 0.1245578 0.1876155 29.2593478** 4.81D-01 < 2s|9s2>=-1.4D-01 <3sh|9s2>= 8.3D-01 < 1s|9s2>= 3.9D-02 9s2 0.0092011 -0.0595021 9.6379785** 4.70D-01 <3dh|9d2>=-5.3D-01 9d2 0.0298034 0.1635529 1.1636768** 2.23D-01 <2ph|9p3>=-4.1D-01 9p3 0.1230786 0.2860417 0.9497242** 2.39D-01 9f1 0.0733271 -0.0317531 1.0302740** 1.08D-01 < 2s|9s1>= 1.3D-06 < 1s|9s1>= 9.7D-07 < 2s|9s2>= 1.3D-06 <3sh|9s2>= 2.7D-07 < 1s|9s2>= 9.9D-07 1 0.037983 2 -0.395667 3 0.232041 4 -0.102240 5 -0.063458 6 0.096379 7 0.066398 8 0.028836 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.67D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 3.37964E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.19292E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.17012E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.15358E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.72248E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.22663E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.08673E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.20655E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1834762 0.4208077 0.9873078 c 1.68D-01 ED = -18.757208; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0067428 134.4801358** 5.82D-01 ED = -0.029488; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.8D-02 9s1 0.0000308 0.0630957 21.4581491** 1.93D-01 ED = -0.079305; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1902055 0.8886291** 1.91D-02 <2ph|9p2>=-1.0D+00 9p2 0.0496941 -0.1852937 16.6733083** 6.58D-01 < 2s|9s2>= 6.2D-01 <3sh|9s2>=-6.1D-01 < 1s|9s2>=-2.7D-01 9s2 0.1688953 -0.0579382 3.6868639** 2.88D-01 <3dh|9d2>=-7.8D-01 9d2 0.0702091 0.1084034 1.7636024** 3.11D-01 <2ph|9p3>= 2.3D-01 9p3 0.0705776 0.2930873 1.3630147** 2.63D-01 9f1 0.0628194 -0.0296541 0.9977465** 9.61D-02 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-7.8D-07 < 2s|9s2>= 3.9D-05 <3sh|9s2>= 8.0D-06 < 1s|9s2>= 2.9D-05 1 0.054545 2 0.423314 3 0.224817 4 -0.018697 5 -0.085903 6 0.105475 7 0.058689 8 0.027326 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.68D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-3.09449E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.10722E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.16744E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.00239E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.76827E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.19968E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 9.67309E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.73082E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2178388 0.4226797 1.0044486 c 1.58D-01 9p1 2.8484148 -0.2471457 3.3898709** 4.08D-01 ED = -0.029112; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 9.8D-02 9s1 0.0000308 -0.0601413 20.1223017** 1.93D-01 ED = -0.080752; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1869137 0.9358780** 1.12D-02 <2ph|9p2>= 9.9D-01 9p2 0.2126716 0.1982769 20.7462536** 4.66D-01 < 2s|9s2>=-6.9D-01 <3sh|9s2>= 6.0D-01 < 1s|9s2>= 3.1D-01 9s2 0.0265004 -0.6392601 4.6613127** 5.51D-01 <3dh|9d2>=-5.8D-01 9d2 0.0364732 0.1497461 1.2233659** 2.31D-01 <2ph|9p3>=-2.6D-01 9p3 0.1336776 0.3366665 0.9902929** 2.46D-01 9f1 0.0563937 -0.0307802 1.0361129** 8.64D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.1D-07 < 2s|9s2>=-5.0D-09 <3sh|9s2>=-8.8D-10 < 1s|9s2>=-3.3D-09 1 -0.046724 2 -0.402853 3 0.229375 4 -0.084237 5 -0.051890 6 0.099900 7 0.064962 8 0.029685 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.58D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 3.26928E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.16597E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.97076E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.37303E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.14331E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.14705E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.38074E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.78342E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1748670 0.4215263 0.9972712 c 2.46D-01 ED = -15.318104; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064449 106.9032555** 5.83D-01 ED = -0.029694; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.8D-02 9s1 0.0000308 0.0609323 21.3911756** 1.93D-01 ED = -0.078186; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1896150 0.9034218** 1.22D-02 <2ph|9p2>=-9.9D-01 9p2 0.0337849 -0.1874713 13.1897600** 7.57D-01 < 2s|9s2>= 7.5D-01 <3sh|9s2>=-3.7D-01 < 1s|9s2>=-3.5D-01 9s2 0.1414821 0.1511446 5.2066039** 4.30D-01 <3dh|9d2>=-7.2D-01 9d2 0.0616077 0.1225050 1.5310483** 2.54D-01 <2ph|9p3>=-2.7D-01 9p3 0.0814852 0.2357151 1.2035816** 2.51D-01 9f1 0.0519787 -0.0295165 0.9821431** 6.43D-02 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.0D-07 < 2s|9s2>=-1.8D-05 <3sh|9s2>=-3.6D-06 < 1s|9s2>=-1.3D-05 1 -0.058825 2 0.416503 3 0.224934 4 -0.047525 5 -0.086025 6 0.105516 7 0.062999 8 0.027846 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.46D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-3.14817E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.12621E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.25353E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.01225E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-8.31765E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.20669E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.87831E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.06565E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2198374 0.4226357 1.0026318 c 2.05D-01 9p1 2.6860258 0.2404040 3.2881378** 4.06D-01 ED = -0.028924; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 9.8D-02 9s1 0.0000308 -0.0609830 20.2340837** 1.93D-01 ED = -0.082172; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1858756 0.9387301** 1.24D-02 <2ph|9p2>= 1.0D+00 9p2 0.1147870 0.1866149 29.0703484** 4.41D-01 < 2s|9s2>=-2.7D-01 <3sh|9s2>= 8.5D-01 < 1s|9s2>= 1.2D-01 9s2 0.0142488 -0.1357925 8.0932897** 4.25D-01 <3dh|9d2>=-4.6D-01 9d2 0.0236622 0.1655929 1.1197469** 2.00D-01 <2ph|9p3>=-4.5D-01 9p3 0.0852863 0.2648895 1.1469886** 2.65D-01 9f1 0.0459114 -0.0292785 1.0714687** 8.27D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.0D-07 < 2s|9s2>= 2.8D-07 <3sh|9s2>= 5.8D-08 < 1s|9s2>= 2.1D-07 1 0.047144 2 -0.392677 3 0.230482 4 -0.104659 5 -0.062678 6 0.097470 7 0.070099 8 0.030869 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.05D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 3.38806E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.19323E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.58525E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.15918E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.90273E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.25232E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 9.98842E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.02756E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1751894 0.4203371 0.9945613 c 2.55D-01 ED = -15.179478; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0068868 107.2749031** 5.82D-01 ED = -0.029651; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.8D-02 9s1 0.0000308 0.0616008 21.2409627** 1.93D-01 ED = -0.077643; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1907200 0.8913559** 1.91D-02 <2ph|9p2>=-1.0D+00 9p2 0.0509310 -0.1855100 16.8595879** 6.45D-01 < 2s|9s2>= 5.8D-01 <3sh|9s2>=-6.5D-01 < 1s|9s2>=-2.6D-01 9s2 0.1773598 -0.1404283 3.4892070** 2.83D-01 <3dh|9d2>=-7.7D-01 9d2 0.0772359 0.1129051 1.6682626** 2.84D-01 <2ph|9p3>= 5.2D-01 9p3 0.0510903 0.2877041 1.7538545** 3.40D-01 9f1 0.0547359 -0.0292272 0.9485806** 8.34D-02 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.0D-07 < 2s|9s2>= 1.5D-05 <3sh|9s2>= 3.0D-06 < 1s|9s2>= 1.1D-05 1 0.054937 2 0.425697 3 0.224212 4 -0.017070 5 -0.086604 6 0.104410 7 0.056783 8 0.028065 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.55D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-3.07590E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.10009E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.25534E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.92582E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.62842E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.17449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.00855E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.90605E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2176772 0.4227242 1.0056790 c 1.95D-01 9p1 2.8498430 -0.2471848 3.3646551** 4.07D-01 ED = -0.029129; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 9.8D-02 9s1 0.0000308 -0.0595965 20.0736283** 1.93D-01 ED = -0.080505; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1867802 0.9396786** 1.46D-02 <2ph|9p2>= 9.9D-01 9p2 0.2265877 0.2004348 20.6862506** 4.64D-01 < 2s|9s2>=-7.3D-01 <3sh|9s2>= 5.5D-01 < 1s|9s2>= 3.3D-01 9s2 0.0283363 -0.6783681 4.6187825** 5.67D-01 <3dh|9d2>=-5.9D-01 9d2 0.0376842 0.1480588 1.2509991** 2.25D-01 <2ph|9p3>=-2.5D-01 9p3 0.1511618 0.3389711 0.9812682** 2.63D-01 9f1 0.0418582 -0.0297179 1.0510040** 7.12D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.1D-07 < 2s|9s2>= 1.1D-07 <3sh|9s2>= 2.2D-08 < 1s|9s2>= 8.1D-08 1 -0.046722 2 -0.403913 3 0.229713 4 -0.082964 5 -0.042761 6 0.100462 7 0.064021 8 0.030362 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.95D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 3.25564E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.16358E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.93844E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.65629E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.48207E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.24865E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.12725E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.13701E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1745611 0.4217060 0.9975915 c 2.47D-01 ED = -15.320282; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064055 106.2470875** 5.83D-01 ED = -0.029692; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.8D-02 9s1 0.0000308 0.0609363 21.4294210** 1.93D-01 ED = -0.078206; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1890891 0.9051596** 1.39D-02 <2ph|9p2>=-9.9D-01 9p2 0.0330820 -0.1882051 13.2265729** 7.63D-01 < 2s|9s2>= 7.6D-01 <3sh|9s2>=-3.5D-01 < 1s|9s2>=-3.5D-01 9s2 0.1449148 0.1506735 6.0784531** 4.44D-01 <3dh|9d2>=-7.1D-01 9d2 0.0615021 0.1244449 1.5023708** 2.47D-01 <2ph|9p3>=-3.3D-01 9p3 0.0828028 0.2228440 1.2212053** 2.75D-01 9f1 0.0508136 -0.0294118 0.9647335** 6.76D-02 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.0D-07 < 2s|9s2>=-1.8D-05 <3sh|9s2>=-3.6D-06 < 1s|9s2>=-1.3D-05 1 -0.060278 2 0.416421 3 0.225489 4 -0.049955 5 -0.085925 6 0.105396 7 0.062895 8 0.027948 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.47D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-3.15140E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.12666E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.04487E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.01535E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-8.39768E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.21404E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.83679E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.26301E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2201714 0.4226153 1.0021560 c 2.07D-01 9p1 2.6326623 0.2381320 3.2587478** 4.06D-01 ED = -0.028888; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 9.8D-02 9s1 0.0000308 -0.0611931 20.2348092** 1.93D-01 ED = -0.082390; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1858107 0.9364720** 1.16D-02 <2ph|9p2>= 1.0D+00 9p2 0.1100979 0.1862535 31.6520141** 4.35D-01 < 2s|9s2>=-2.6D-01 <3sh|9s2>= 8.5D-01 < 1s|9s2>= 1.2D-01 9s2 0.0139933 -0.1182833 8.4387852** 4.30D-01 <3dh|9d2>=-4.6D-01 9d2 0.0221471 0.1660651 1.1185269** 1.97D-01 <2ph|9p3>=-4.0D-01 9p3 0.0818201 0.2813652 1.1357042** 2.66D-01 9f1 0.0437000 -0.0288914 1.0811545** 8.47D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.0D-07 < 2s|9s2>= 3.7D-07 <3sh|9s2>= 7.4D-08 < 1s|9s2>= 2.7D-07 1 0.047349 2 -0.392587 3 0.230689 4 -0.105643 5 -0.061978 6 0.097506 7 0.070543 8 0.031204 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.07D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 3.38847E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.19325E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.58307E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.17176E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.83388E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.29985E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.00444E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.99203E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1748849 0.4203074 0.9945391 c 2.59D-01 ED = -15.114841; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0068967 106.7063227** 5.82D-01 ED = -0.029657; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.8D-02 9s1 0.0000308 0.0615484 21.2238925** 1.93D-01 ED = -0.077524; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1906828 0.8907541** 1.95D-02 <2ph|9p2>=-1.0D+00 9p2 0.0523336 -0.1854444 17.6203778** 6.32D-01 < 2s|9s2>= 5.7D-01 <3sh|9s2>=-6.7D-01 < 1s|9s2>=-2.6D-01 9s2 0.1806398 -0.1574602 3.4960527** 2.84D-01 <3dh|9d2>=-7.7D-01 9d2 0.0782407 0.1124313 1.6729620** 2.84D-01 <2ph|9p3>= 5.8D-01 9p3 0.0480611 0.2832355 1.8933249** 3.73D-01 9f1 0.0548683 -0.0291511 0.9405432** 8.39D-02 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.0D-07 < 2s|9s2>= 1.3D-05 <3sh|9s2>= 2.6D-06 < 1s|9s2>= 9.7D-06 1 0.055190 2 0.425785 3 0.224261 4 -0.013341 5 -0.086573 6 0.104209 7 0.055474 8 0.028186 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.59D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-3.07735E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.09981E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.61727E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.92858E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.44737E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.17608E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.03225E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.01245E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2175947 0.4226846 1.0056558 c 1.96D-01 9p1 2.8386263 -0.2468186 3.3597385** 4.07D-01 ED = -0.029129; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 9.8D-02 9s1 0.0000308 -0.0595878 20.0562847** 1.93D-01 ED = -0.080491; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1868671 0.9391372** 1.43D-02 <2ph|9p2>= 9.9D-01 9p2 0.2697892 0.2070356 20.5784975** 4.62D-01 < 2s|9s2>=-7.8D-01 <3sh|9s2>= 4.8D-01 < 1s|9s2>= 3.5D-01 9s2 0.0308628 -0.7337817 4.6492395** 5.92D-01 <3dh|9d2>=-6.0D-01 9d2 0.0399623 0.1475297 1.2562099** 2.28D-01 <2ph|9p3>=-2.2D-01 9p3 0.1590066 0.3496235 0.9763041** 2.64D-01 9f1 0.0394850 -0.0296506 1.0497367** 6.76D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.1D-07 < 2s|9s2>= 4.0D-07 <3sh|9s2>= 8.0D-08 < 1s|9s2>= 2.9D-07 1 -0.046620 2 -0.408066 3 0.229903 4 -0.079425 5 -0.026955 6 0.100640 7 0.063437 8 0.030439 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.96D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 3.20783E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.15233E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.03177E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.60710E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66113E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.91453E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.70450E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.52183E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1740927 0.4221484 0.9987314 c 2.50D-01 ED = -15.354464; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0062347 105.8035551** 5.84D-01 ED = -0.029724; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.8D-02 9s1 0.0000308 0.0606056 21.4242229** 1.93D-01 ED = -0.077989; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1884993 0.9083091** 1.80D-02 <2ph|9p2>=-9.9D-01 9p2 0.0309721 -0.1896323 13.3560383** 7.75D-01 < 2s|9s2>= 7.6D-01 <3sh|9s2>=-3.0D-01 < 1s|9s2>=-3.6D-01 9s2 0.1520790 0.1441054 8.8050580** 4.74D-01 <3dh|9d2>=-7.0D-01 9d2 0.0597026 0.1276646 1.4692747** 2.38D-01 <2ph|9p3>=-4.7D-01 9p3 0.0825334 0.1838964 1.2796459** 3.40D-01 9f1 0.0503473 -0.0293695 0.9654741** 6.14D-02 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.0D-07 < 2s|9s2>=-1.8D-05 <3sh|9s2>=-3.7D-06 < 1s|9s2>=-1.4D-05 1 -0.062772 2 0.414302 3 0.226014 4 -0.054704 5 -0.085794 6 0.104997 7 0.062956 8 0.028054 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.50D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-3.17506E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.13305E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.63298E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.02138E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-8.52383E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.22548E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.71523E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.47659E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2208351 0.4225132 1.0008641 c 2.12D-01 9p1 2.5388448 0.2341634 3.2170967** 4.05D-01 ED = -0.028810; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 9.8D-02 9s1 0.0000308 -0.0616903 20.2681480** 1.93D-01 ED = -0.083073; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1857540 0.9339039** 1.27D-02 <2ph|9p2>= 1.0D+00 9p2 0.1012532 0.1856041 39.4989957** 4.69D-01 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 8.6D-01 < 1s|9s2>= 1.2D-01 9s2 0.0146130 -0.1048299 8.7038715** 4.35D-01 <3dh|9d2>=-4.3D-01 9d2 0.0197737 0.1684180 1.1084875** 1.90D-01 <2ph|9p3>=-3.4D-01 9p3 0.0748513 0.3041154 1.1326651** 2.69D-01 9f1 0.0408785 -0.0283611 1.0963254** 8.77D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.0D-07 < 2s|9s2>= 4.5D-07 <3sh|9s2>= 9.1D-08 < 1s|9s2>= 3.4D-07 1 0.047556 2 -0.392877 3 0.230984 4 -0.106126 5 -0.061965 6 0.097270 7 0.071811 8 0.031680 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.12D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 3.38367E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.19169E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.64552E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.17169E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.68391E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.29931E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.01086E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.86397E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1743973 0.4202758 0.9947045 c 2.66D-01 ED = -15.049048; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0068812 106.2020074** 5.82D-01 ED = -0.029680; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.8D-02 9s1 0.0000308 0.0613840 21.1637761** 1.93D-01 ED = -0.077220; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1906008 0.8900320** 2.02D-02 <2ph|9p2>=-1.0D+00 9p2 0.0547368 -0.1853030 19.3942978** 6.05D-01 < 2s|9s2>= 5.5D-01 <3sh|9s2>=-6.8D-01 < 1s|9s2>=-2.5D-01 9s2 0.1842772 -0.1780310 3.4788681** 2.87D-01 <3dh|9d2>=-7.8D-01 9d2 0.0791899 0.1114922 1.6886858** 2.86D-01 <2ph|9p3>= 7.1D-01 9p3 0.0407074 0.2707837 2.4115418** 4.62D-01 9f1 0.0570072 -0.0289882 0.9306807** 8.30D-02 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.0D-07 < 2s|9s2>= 1.1D-05 <3sh|9s2>= 2.3D-06 < 1s|9s2>= 8.4D-06 1 0.055679 2 0.425602 3 0.224357 4 -0.005903 5 -0.086434 6 0.103841 7 0.051923 8 0.028601 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.66D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-3.08372E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.10021E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.73650E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 9.94537E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.14381E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.18215E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.07504E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.40713E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2174127 0.4225938 1.0055154 c 1.98D-01 9p1 2.8140961 -0.2460261 3.3532005** 4.07D-01 ED = -0.029126; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 9.8D-02 9s1 0.0000308 -0.0596048 20.0074890** 1.93D-01 ED = -0.080466; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1869705 0.9384258** 1.40D-02 <2ph|9p2>= 9.7D-01 9p2 0.5151618 0.2496189 20.7408317** 4.51D-01 < 2s|9s2>=-8.4D-01 <3sh|9s2>= 3.6D-01 < 1s|9s2>= 3.8D-01 9s2 0.0359257 -0.8003741 4.9881534** 6.35D-01 <3dh|9d2>=-6.1D-01 9d2 0.0460149 0.1481496 1.2525040** 2.34D-01 <2ph|9p3>=-1.5D-01 9p3 0.1765856 0.3714072 0.9794537** 2.71D-01 9f1 0.0315683 -0.0292975 1.0503884** 5.89D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.2D-07 < 2s|9s2>= 1.9D-06 <3sh|9s2>= 3.9D-07 < 1s|9s2>= 1.4D-06 1 -0.046138 2 -0.416817 3 0.230407 4 -0.066956 5 0.009805 6 0.100495 7 0.062380 8 0.030750 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.98D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 3.11066E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.12919E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.49773E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.19106E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.18720E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.72462E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.89596E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.29403E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1736674 0.4232318 1.0015099 c 2.52D-01 ED = -15.516649; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0056706 108.0682920** 5.83D-01 ED = -0.029782; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.8D-02 9s1 0.0000308 0.0599822 21.4313677** 1.93D-01 ED = -0.077301; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1872700 0.9146796** 2.52D-02 <2ph|9p2>=-9.9D-01 9p2 0.0218605 -0.1939530 13.6438663** 7.99D-01 < 2s|9s2>= 9.0D-01 <3sh|9s2>=-8.2D-02 < 1s|9s2>=-4.1D-01 9s2 0.0479451 0.8040574 74.8490650** 6.19D-01 <3dh|9d2>=-6.5D-01 9d2 0.0544661 0.1377001 1.3808438** 2.13D-01 <2ph|9p3>=-7.0D-01 9p3 0.0776877 0.1034691 1.5074417** 4.62D-01 9f1 0.0467497 -0.0291698 0.9669965** 4.38D-02 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.0D-07 < 2s|9s2>=-8.5D-06 <3sh|9s2>=-1.7D-06 < 1s|9s2>=-6.3D-06 1 -0.071947 2 0.413610 3 0.227585 4 -0.068210 5 -0.057808 6 0.104077 7 0.062514 8 0.028486 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.52D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-3.17548E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.13710E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.81043E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.51315E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.46637E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.81696E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.03296E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.68082E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2212900 0.4227301 0.9988145 c 2.15D-01 9p1 2.1823779 0.2165840 3.1445285** 4.08D-01 ED = -0.028653; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 9.8D-02 9s1 0.0000308 -0.0624147 20.2450193** 1.93D-01 ED = -0.084737; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1843201 0.9346222** 1.28D-02 <2ph|9p2>= 1.0D+00 9p2 0.0799368 0.1843554 308.2406315** 5.71D-01 ED = -0.004041; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-1.1D-02 <3sh|9s2>= 3.0D-01 < 1s|9s2>= 3.0D-03 9s2 0.0000308 0.0435532 166.1915802** 5.86D-01 <3dh|9d2>=-4.1D-01 9d2 0.0186420 0.1812647 1.0430995** 1.93D-01 <2ph|9p3>=-5.2D-01 9p3 0.0617930 0.2416737 1.2509748** 2.65D-01 9f1 0.0372046 -0.0282315 1.0861178** 6.56D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.0D-07 < 2s|9s2>=-1.3D-07 <3sh|9s2>=-2.7D-08 < 1s|9s2>=-9.9D-08 1 0.049613 2 -0.404680 3 0.234255 4 -0.103619 5 -0.013407 6 0.093792 7 0.071891 8 0.031844 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.15D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 3.25314E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.15760E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.69120E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 5.26249E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.91663E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.98951E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.03713E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.78014E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1705366 0.4211196 0.9961904 c 2.98D-01 ED = -14.447869; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0066895 98.9219301** 5.84D-01 ED = -0.029748; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.8D-02 9s1 0.0000308 0.0609456 21.0463619** 1.93D-01 ED = -0.076609; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1896712 0.8836452** 2.55D-02 <2ph|9p2>=-1.0D+00 9p2 0.0606348 -0.1858756 27.7705951** 5.40D-01 < 2s|9s2>= 5.4D-01 <3sh|9s2>=-6.8D-01 < 1s|9s2>=-2.6D-01 9s2 0.2131299 -0.2289087 14.1291579** 3.19D-01 <3dh|9d2>=-7.9D-01 9d2 0.0807259 0.1109945 1.7629512** 3.18D-01 <2ph|9p3>=-9.3D-01 9p3 0.0132964 -0.1224685 5.0288436** 7.68D-01 9f1 0.0531076 -0.0287381 0.9349766** 1.47D-01 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.0D-07 < 2s|9s2>= 8.4D-06 <3sh|9s2>= 1.7D-06 < 1s|9s2>= 6.3D-06 1 0.062507 2 0.423978 3 0.224910 4 0.014103 5 -0.085936 6 0.101470 7 0.055762 8 0.026992 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.98D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-3.11475E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.10527E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.65048E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.01114E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.23998E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.21781E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.17668E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.37080E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2185345 0.4221690 1.0024919 c 2.20D-01 9p1 2.5598222 -0.2359477 3.2137055** 4.05D-01 ED = -0.028947; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.2D-01 < 1s|9s1>= 9.7D-02 9s1 0.0000308 -0.0601260 20.1965423** 1.93D-01 ED = -0.082520; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1886396 0.9261242** 2.08D-02 ED = -0.102209; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.1D-01 9p2 0.0000308 0.1328701 57.1399150** 5.33D-01 < 2s|9s2>=-9.0D-01 <3sh|9s2>= 1.4D-01 < 1s|9s2>= 4.1D-01 9s2 0.0436796 -0.8404152 6.5982217** 6.93D-01 <3dh|9d2>=-6.6D-01 9d2 0.0673555 0.1455099 1.2862035** 2.50D-01 <2ph|9p3>= 3.4D-01 9p3 0.1622244 0.4513811 0.9296312** 3.58D-01 9f1 0.0689159 -0.0331804 0.9735853** 6.28D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.0D-07 < 2s|9s2>= 9.5D-06 <3sh|9s2>= 1.9D-06 < 1s|9s2>= 7.1D-06 1 -0.044511 2 -0.419952 3 0.229402 4 0.009305 5 0.040586 6 0.098158 7 0.060215 8 0.027816 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.20D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 3.07449E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.11973E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.34067E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.85927E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.33381E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.56911E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.89504E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.93353E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1741815 0.4234895 1.0031277 c 2.55D-01 ED = -16.084908; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0050107 123.0042852** 5.77D-01 ED = -0.029859; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.2D-01 < 1s|9s1>=-9.7D-02 9s1 0.0000308 0.0591159 21.6926014** 1.93D-01 ED = -0.075640; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1879741 0.9176060** 2.09D-02 <2ph|9p2>=-9.9D-01 9p2 0.1847651 -0.1891562 51.5815002** 3.51D-01 ED = -0.024083; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.5D-02 <3sh|9s2>=-2.7D-01 < 1s|9s2>=-9.3D-03 9s2 0.0000308 -0.0131567 116.3857703** 6.12D-01 <3dh|9d2>=-6.0D-01 9d2 0.0370373 0.1520997 1.2991313** 1.93D-01 <2ph|9p3>=-7.1D-01 9p3 0.0789148 0.1354180 1.4914658** 3.95D-01 9f1 0.0592809 -0.0297726 1.0466716** 6.32D-02 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-8.0D-07 < 2s|9s2>= 3.3D-07 <3sh|9s2>= 6.7D-08 < 1s|9s2>= 2.5D-07 1 -0.103968 2 0.401337 3 0.224855 4 0.093536 5 0.017750 6 0.097069 7 0.062312 8 0.027961 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.55D-01 *** CALCULATIONS FOR k^2 = 0.7600 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.232902 2 6.302502 3 0.280275 4 0.175134 5 0.031857 6 0.152629 7 0.077315 8 0.028572 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 7.88155E-03 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-8.49497E-02 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.10748E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-8.19308E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.13233E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.07130E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.60129E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.86503E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 108points in CSOLVE. End of range: 18.868615759265 au. kpc 0.1082515 0.5105423 1.2055609 c 6.09D-01 9p1 0.6365106 -0.0248850 2.6447480** 3.97D-01 ED = -0.010052; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.0D-01 < 1s|9s1>= 9.7D-02 9s1 0.0000308 -0.0627255 8.0260438** 1.93D-01 ED = -0.386319; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.0862326 1.6855562** 4.29D-01 ED = -0.247956; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.5D-01 9p2 0.0000308 0.1228585 60.2120172** 7.02D-01 < 2s|9s2>= 8.8D-01 <3sh|9s2>=-1.4D-01 < 1s|9s2>=-3.8D-01 9s2 0.0348655 0.6613560 145.3113220** 4.03D-01 ED = -0.217046; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.9D-01 9d2 0.0000308 0.0029744 17.9562026** 6.45D-01 <2ph|9p3>=-1.0D-01 9p3 0.0447957 -0.0272317 8.6068346** 5.75D-01 9f1 0.0877141 -0.0160543 2.7183897** 5.02D-01 < 2s|9s1>= 8.0D-07 < 1s|9s1>= 5.9D-07 < 2s|9s2>=-6.4D-06 <3sh|9s2>=-1.3D-06 < 1s|9s2>=-4.7D-06 1 0.144721 2 -3.849000 3 0.646947 4 -0.158765 5 -0.123937 6 0.127050 7 -0.245109 8 0.004289 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.22D+00 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 1.08083E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.79098E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.88622E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.91323E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.43605E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.98863E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.47757E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.19683E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0294687 0.4706049 0.9217745 c 2.67D+00 ED = -5.411378; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0159850 52.2989020** 5.51D-01 ED = -0.008987; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.1D-02 9s1 0.0000308 0.0755615 11.5815070** 1.93D-01 ED = -0.028943; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1353793 0.4933834** 2.07D-01 ED = -0.006555; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.7D-01 9p2 0.0000308 -0.1322676 41.0175578** 4.13D-01 ED = -0.269671; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-6.5D-01 <3sh|9s2>=-4.8D-02 < 1s|9s2>= 3.3D-01 9s2 0.0000308 -0.4533233 16.2129122** 6.44D-01 ED = -0.031555; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-9.0D-01 9d2 0.0000308 0.0030020 15.3067845** 3.38D-01 ED = -0.190307; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-2.0D-01 9p3 0.0000308 -0.0306807 21.3658733** 3.37D-01 9f1 3.2444383 -0.0678541 1.3122454** 3.53D-01 < 2s|9s1>=-7.2D-07 < 1s|9s1>=-5.3D-07 < 2s|9s2>= 1.0D-06 <3sh|9s2>= 2.1D-07 < 1s|9s2>= 7.7D-07 1 0.212394 2 3.218310 3 0.410228 4 0.080925 5 0.135232 6 0.116381 7 0.092792 8 0.010192 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.67D+00 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-2.01718E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.88380E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01820E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.74190E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.29442E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.76675E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.75188E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.09144E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1525547 0.4460268 0.9477734 c 8.07D-01 9p1 0.7185171 -0.0471364 2.4233320** 4.34D-01 ED = -0.009020; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 9.0D-02 9s1 0.0000308 -0.0794106 9.6408274** 1.94D-01 ED = -0.119508; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1303804 0.7715550** 2.10D-02 ED = -0.046784; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.4D-01 9p2 0.0000308 0.1242138 68.3705157** 4.08D-01 < 2s|9s2>= 8.7D-01 <3sh|9s2>=-1.5D-01 < 1s|9s2>=-4.1D-01 9s2 0.0435162 0.6300197 29.5195048** 4.82D-01 ED = -0.006695; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.9D-01 9d2 0.0000308 0.0071613 13.5018925** 3.42D-01 ED = -0.111544; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 3.5D-02 9p3 0.0000308 0.0021897 46.8029786** 1.56D-01 9f1 1.7174769 -0.0573904 1.0122063** 1.47D-01 < 2s|9s1>= 7.1D-07 < 1s|9s1>= 5.3D-07 < 2s|9s2>=-7.0D-06 <3sh|9s2>=-1.4D-06 < 1s|9s2>=-5.2D-06 1 -0.096756 2 -3.528657 3 0.425605 4 -0.079239 5 -0.103528 6 0.142561 7 -0.079854 8 0.015868 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.07D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 1.34376E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.64051E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.18249E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.32455E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.82308E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.10573E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.10004E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.53078E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0629094 0.4575086 1.0257423 c 1.42D+00 ED = -8.095462; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0137548 77.5466879** 5.99D-01 ED = -0.009745; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.2D-02 9s1 0.0000308 0.0680421 9.6580701** 1.94D-01 ED = -0.093728; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1373743 0.7165361** 2.79D-02 ED = -0.053456; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.3D-01 9p2 0.0000308 -0.1219071 77.0247714** 4.01D-01 ED = -0.257355; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-2.7D-01 <3sh|9s2>= 3.6D-01 < 1s|9s2>= 1.3D-01 9s2 0.0000308 -0.1248305 34.6771910** 4.52D-01 ED = -0.000050; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.8D-01 9d2 0.0000308 0.0066580 11.0614268** 3.27D-01 ED = -0.118742; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-4.1D-02 9p3 0.0000308 -0.0044744 63.0517435** 1.55D-01 9f1 0.8840637 -0.0412412 1.0391432** 5.69D-02 < 2s|9s1>=-7.8D-07 < 1s|9s1>=-5.8D-07 < 2s|9s2>= 1.4D-07 <3sh|9s2>= 2.8D-08 < 1s|9s2>= 1.0D-07 1 -0.223841 2 3.220537 3 0.393872 4 0.071334 5 0.012407 6 0.124856 7 0.072001 8 0.015629 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.42D+00 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-1.84413E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.80978E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.17486E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.77924E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.48652E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.93509E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.39947E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.64022E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1501841 0.4488042 0.9809744 c 5.81D-01 9p1 0.6657159 0.0386827 2.4021677** 4.30D-01 ED = -0.009182; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 9.2D-02 9s1 0.0000308 -0.0746991 9.3963763** 1.94D-01 ED = -0.116539; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1311891 0.8046710** 3.58D-02 ED = -0.046529; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.3D-01 9p2 0.0000308 0.1225340 78.8197531** 3.89D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>= 7.3D-02 < 1s|9s2>= 4.1D-01 9s2 0.0969833 -0.6443615 356.1371353** 3.93D-01 <3dh|9d2>=-9.4D-01 9d2 0.0067206 0.0102323 9.6700906** 3.55D-01 ED = -0.113463; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 1.0D-01 9p3 0.0000308 0.0166747 61.4428836** 1.55D-01 9f1 0.8351485 -0.0461104 0.9892001** 3.64D-02 < 2s|9s1>= 7.4D-07 < 1s|9s1>= 5.5D-07 < 2s|9s2>= 7.2D-06 <3sh|9s2>= 1.5D-06 < 1s|9s2>= 5.4D-06 1 0.102360 2 -3.460057 3 0.422553 4 -0.066490 5 0.100795 6 0.175104 7 -0.078804 8 0.018081 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.24D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 1.44580E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.67806E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.37732E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.51370E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.82052E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.20137E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.40324E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.53605E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0635943 0.4573306 1.0189981 c 1.36D+00 ED = -7.662390; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0132893 73.1538201** 5.96D-01 ED = -0.009660; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.2D-02 9s1 0.0000308 0.0691376 9.8031882** 1.94D-01 ED = -0.097330; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1382082 0.7090483** 4.33D-02 ED = -0.068056; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.2D-01 9p2 0.0000308 -0.1199461 90.9491193** 3.87D-01 ED = -0.268391; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.9D-01 <3sh|9s2>=-3.4D-01 < 1s|9s2>=-8.8D-02 9s2 0.0000308 0.0673471 49.3327055** 4.70D-01 ED = -0.015964; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.8D-01 9d2 0.0000308 0.0073183 8.5070600** 3.44D-01 ED = -0.119994; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.0D-02 9p3 0.0000308 0.0013115 61.9654918** 1.55D-01 9f1 0.7130190 -0.0376460 1.0389762** 6.44D-02 < 2s|9s1>=-7.7D-07 < 1s|9s1>=-5.7D-07 < 2s|9s2>=-6.5D-08 <3sh|9s2>=-1.3D-08 < 1s|9s2>=-4.8D-08 1 0.220591 2 3.252271 3 0.388796 4 0.069266 5 0.001007 6 0.129617 7 0.069995 8 0.015550 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.36D+00 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-1.77285E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.78909E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.22411E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.00009E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.83663E+01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.60218E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.29428E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.77264E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1491558 0.4497551 0.9834353 c 5.74D-01 9p1 0.6769827 -0.0389002 2.4189955** 4.28D-01 ED = -0.009223; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 9.2D-02 9s1 0.0000308 -0.0739574 9.3639758** 1.94D-01 ED = -0.115549; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1302014 0.8225967** 4.56D-02 ED = -0.048690; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.3D-01 9p2 0.0000308 0.1226207 81.8300703** 3.86D-01 ED = -0.361406; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.4D-01 <3sh|9s2>=-3.5D-01 < 1s|9s2>=-1.1D-01 9s2 0.0000308 0.11563685414.1744678** 1.44D-01 <3dh|9d2>=-9.4D-01 9d2 0.0077309 0.0106030 9.1440316** 3.56D-01 ED = -0.114271; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 1.2D-01 9p3 0.0000308 0.0189197 63.6967131** 1.55D-01 9f1 0.8802966 -0.0470173 0.9777072** 6.57D-02 < 2s|9s1>= 7.4D-07 < 1s|9s1>= 5.5D-07 < 2s|9s2>=-1.0D-07 <3sh|9s2>=-2.0D-08 < 1s|9s2>=-7.5D-08 1 -0.097132 2 -3.604543 3 0.431206 4 -0.074539 5 -0.003384 6 0.179923 7 -0.083542 8 0.018962 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.31D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 1.20653E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.62391E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.28056E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 8.87550E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.03115E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.63608E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.37414E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58553E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0574121 0.4603476 1.0235519 c 1.60D+00 ED = -8.078301; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0169393 66.2763998** 6.06D-01 ED = -0.009697; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.3D-02 9s1 0.0000308 0.0686834 9.7522793** 1.94D-01 ED = -0.097432; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1303948 0.7398396** 2.25D-02 ED = -0.052948; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.2D-01 9p2 0.0000308 -0.1219187 84.2081320** 3.86D-01 < 2s|9s2>=-8.5D-01 <3sh|9s2>= 2.8D-01 < 1s|9s2>= 3.9D-01 9s2 0.0229459 -0.5655399 603.4693973** 4.06D-01 ED = -0.018917; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.9D-01 9d2 0.0000308 0.0070836 8.5124506** 3.44D-01 ED = -0.116734; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-5.3D-02 9p3 0.0000308 -0.0063685 58.0539738** 1.55D-01 9f1 0.6622595 -0.0369701 1.0437502** 5.57D-02 < 2s|9s1>=-7.7D-07 < 1s|9s1>=-5.8D-07 < 2s|9s2>= 8.0D-06 <3sh|9s2>= 1.6D-06 < 1s|9s2>= 6.0D-06 1 -0.184763 2 3.111837 3 0.406503 4 0.060362 5 0.111355 6 0.130630 7 0.071573 8 0.015053 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.60D+00 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-2.12407E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.87610E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.34021E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.43538E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.51993E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.20006E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.18231E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.74309E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1626398 0.4459244 0.9686689 c 6.47D-01 9p1 0.9526104 0.0750485 2.3623408** 4.12D-01 ED = -0.009261; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 9.1D-02 9s1 0.0000308 -0.0757768 9.3339600** 1.94D-01 ED = -0.101894; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1348258 0.7509786** 2.26D-02 ED = -0.060419; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.2D-01 9p2 0.0000308 0.1207956 90.4147877** 3.84D-01 ED = -0.199217; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.1D-01 <3sh|9s2>=-3.5D-01 < 1s|9s2>=-9.9D-02 9s2 0.0000308 0.0907268 45.4759943** 4.63D-01 <3dh|9d2>=-9.4D-01 9d2 0.0065610 0.0102992 8.9939969** 3.54D-01 ED = -0.116618; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 3.9D-02 9p3 0.0000308 0.0043423 62.9455204** 1.55D-01 9f1 0.9050922 -0.0458972 0.9817413** 3.88D-02 < 2s|9s1>= 7.3D-07 < 1s|9s1>= 5.4D-07 < 2s|9s2>=-6.9D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.1D-08 1 0.084604 2 -3.512901 3 0.411233 4 -0.074292 5 0.002180 6 0.172497 7 -0.073670 8 0.018868 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.47D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 1.29973E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.64678E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.26023E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.45000E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.14126E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.47001E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.42280E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.83628E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0673501 0.4575222 1.0260084 c 1.41D+00 ED = -9.228106; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0163378 77.2281442** 6.11D-01 ED = -0.009802; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.3D-02 9s1 0.0000308 0.0678356 9.5581373** 1.94D-01 ED = -0.101361; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1301245 0.7779904** 2.35D-02 ED = -0.047192; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.2D-01 9p2 0.0000308 -0.1226157 81.9796895** 3.86D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>= 8.5D-02 < 1s|9s2>= 4.0D-01 9s2 0.0844394 -0.65187563270.1181257** 4.46D-01 ED = -0.011301; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.8D-01 9d2 0.0000308 0.0075411 8.6850908** 3.41D-01 ED = -0.118045; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.7D-02 9p3 0.0000308 -0.0151469 64.7296215** 1.55D-01 9f1 0.6938649 -0.0384982 1.0173202** 3.66D-02 < 2s|9s1>=-7.8D-07 < 1s|9s1>=-5.8D-07 < 2s|9s2>= 7.0D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.2D-06 1 0.177385 2 3.084286 3 0.405880 4 0.057367 5 0.115831 6 0.132740 7 0.072353 8 0.015892 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.41D+00 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-2.17131E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.88225E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.40154E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.08953E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.39237E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.04849E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.10862E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.63306E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1627500 0.4455255 0.9737789 c 5.86D-01 9p1 0.9819751 -0.0782601 2.4142056** 4.14D-01 ED = -0.009289; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 9.1D-02 9s1 0.0000308 -0.0755213 9.3038088** 1.94D-01 ED = -0.102109; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1349029 0.7504739** 2.58D-02 ED = -0.066476; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.2D-01 9p2 0.0000308 0.1205479 94.1088454** 3.85D-01 ED = -0.184855; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.2D-01 <3sh|9s2>=-3.5D-01 < 1s|9s2>=-1.0D-01 9s2 0.0000308 0.0926418 42.4384130** 4.57D-01 <3dh|9d2>=-9.4D-01 9d2 0.0067190 0.0104933 8.7362883** 3.54D-01 ED = -0.117989; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 1.8D-02 9p3 0.0000308 0.0004374 61.6831305** 1.55D-01 9f1 0.8109898 -0.0435913 0.9985366** 4.10D-02 < 2s|9s1>= 7.3D-07 < 1s|9s1>= 5.5D-07 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.083215 2 -3.523583 3 0.410095 4 -0.074928 5 0.002037 6 0.173715 7 -0.072559 8 0.018754 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 5.98D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 1.28178E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.64026E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.25622E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.54914E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.74234E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.57183E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.41408E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.87092E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0680950 0.4575889 1.0270769 c 1.39D+00 ED = -9.377679; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0164268 78.5277723** 6.11D-01 ED = -0.009815; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.3D-02 9s1 0.0000308 0.0677317 9.5220586** 1.94D-01 ED = -0.101687; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1297158 0.7822677** 2.59D-02 ED = -0.048191; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.2D-01 9p2 0.0000308 -0.1224667 81.5638139** 3.88D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>= 7.9D-02 < 1s|9s2>= 4.0D-01 9s2 0.0893386 -0.65380162543.3393303** 4.47D-01 ED = -0.011475; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.8D-01 9d2 0.0000308 0.0075210 8.6536607** 3.40D-01 ED = -0.118289; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.0D-01 9p3 0.0000308 -0.0159857 65.5360838** 1.54D-01 9f1 0.7167872 -0.0390392 1.0074100** 4.24D-02 < 2s|9s1>=-7.8D-07 < 1s|9s1>=-5.8D-07 < 2s|9s2>= 7.0D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.2D-06 1 -0.177819 2 3.081923 3 0.407066 4 0.057333 5 0.115752 6 0.132636 7 0.072625 8 0.015994 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.39D+00 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-2.17548E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.88397E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.40065E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.10325E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.39325E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.05188E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.11039E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.63037E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1627495 0.4454880 0.9735550 c 5.82D-01 9p1 0.9794721 0.0781137 2.4119828** 4.14D-01 ED = -0.009287; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 9.1D-02 9s1 0.0000308 -0.0755445 9.3059385** 1.94D-01 ED = -0.101324; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1349717 0.7479401** 2.60D-02 ED = -0.066472; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.2D-01 9p2 0.0000308 0.1205411 94.1011331** 3.85D-01 ED = -0.185124; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.1D-01 <3sh|9s2>=-3.5D-01 < 1s|9s2>=-1.0D-01 9s2 0.0000308 0.0925181 42.5165089** 4.58D-01 <3dh|9d2>=-9.4D-01 9d2 0.0065753 0.0104311 8.7716819** 3.54D-01 ED = -0.117805; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 1.8D-02 9p3 0.0000308 0.0004169 61.4018527** 1.54D-01 9f1 0.7965724 -0.0432185 1.0018708** 4.36D-02 < 2s|9s1>= 7.3D-07 < 1s|9s1>= 5.5D-07 < 2s|9s2>=-6.9D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.083247 2 -3.524082 3 0.410016 4 -0.075047 5 0.002049 6 0.173204 7 -0.072573 8 0.018681 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 5.98D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 1.28141E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.63992E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.25432E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.53945E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.69064E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.56232E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.42208E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.86821E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0680083 0.4575824 1.0271488 c 1.39D+00 ED = -9.373903; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0164286 78.4994504** 6.11D-01 ED = -0.009815; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.3D-02 9s1 0.0000308 0.0677212 9.5212347** 1.94D-01 ED = -0.101808; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1297281 0.7825053** 2.60D-02 ED = -0.047929; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.2D-01 9p2 0.0000308 -0.1225061 81.4286106** 3.88D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>= 7.9D-02 < 1s|9s2>= 4.0D-01 9s2 0.0892786 -0.65375222536.6226239** 4.47D-01 ED = -0.011214; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.8D-01 9d2 0.0000308 0.0075155 8.6834574** 3.41D-01 ED = -0.118298; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.0D-01 9p3 0.0000308 -0.0159827 65.5381989** 1.54D-01 9f1 0.7240805 -0.0392063 1.0052993** 4.42D-02 < 2s|9s1>=-7.8D-07 < 1s|9s1>=-5.8D-07 < 2s|9s2>= 7.0D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.2D-06 1 0.177840 2 3.081701 3 0.407046 4 0.057352 5 0.115750 6 0.132595 7 0.072620 8 0.016020 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.39D+00 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-2.17602E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.88410E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.40008E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.10395E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.39315E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.05198E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.11120E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.62961E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1627629 0.4454801 0.9735516 c 5.82D-01 9p1 0.9793245 -0.0781077 2.4118853** 4.14D-01 ED = -0.009287; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 9.1D-02 9s1 0.0000308 -0.0755504 9.3062171** 1.94D-01 ED = -0.101379; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1349808 0.7479124** 2.60D-02 ED = -0.066457; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.2D-01 9p2 0.0000308 0.1205416 94.0628741** 3.85D-01 ED = -0.185100; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.1D-01 <3sh|9s2>=-3.5D-01 < 1s|9s2>=-1.0D-01 9s2 0.0000308 0.0925946 42.4965612** 4.58D-01 <3dh|9d2>=-9.4D-01 9d2 0.0065688 0.0104294 8.7754433** 3.54D-01 ED = -0.117810; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 1.8D-02 9p3 0.0000308 0.0003938 61.4007974** 1.54D-01 9f1 0.7932915 -0.0431413 1.0027545** 4.44D-02 < 2s|9s1>= 7.3D-07 < 1s|9s1>= 5.5D-07 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.083245 2 -3.524153 3 0.409990 4 -0.075052 5 0.002037 6 0.173186 7 -0.072568 8 0.018670 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 5.98D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 1.28125E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.63985E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.25429E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.54891E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.75089E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.57197E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.42241E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.86814E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0680035 0.4575830 1.0271682 c 1.39D+00 ED = -9.374136; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0164293 78.5023239** 6.11D-01 ED = -0.009815; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.3D-02 9s1 0.0000308 0.0677185 9.5208821** 1.94D-01 ED = -0.101814; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1297276 0.7825673** 2.60D-02 ED = -0.047920; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.2D-01 9p2 0.0000308 -0.1225075 81.4246092** 3.88D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>= 7.9D-02 < 1s|9s2>= 4.0D-01 9s2 0.0895730 -0.65387152510.8840659** 4.47D-01 ED = -0.011201; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.8D-01 9d2 0.0000308 0.0075155 8.6846513** 3.41D-01 ED = -0.118299; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.0D-01 9p3 0.0000308 -0.0159861 65.5438900** 1.54D-01 9f1 0.7253097 -0.0392347 1.0049305** 4.45D-02 < 2s|9s1>=-7.8D-07 < 1s|9s1>=-5.8D-07 < 2s|9s2>= 7.0D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.2D-06 1 -0.177843 2 3.081687 3 0.407048 4 0.057352 5 0.115743 6 0.132594 7 0.072621 8 0.016025 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.39D+00 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-2.17605E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.88412E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.40006E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.10442E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.39323E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.05217E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.11120E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.62960E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1627638 0.4454798 0.9735497 c 5.82D-01 9p1 0.9793029 0.0781062 2.4118747** 4.14D-01 ED = -0.009287; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 9.1D-02 9s1 0.0000308 -0.0755510 9.3062517** 1.94D-01 ED = -0.101380; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1349811 0.7479063** 2.60D-02 ED = -0.066456; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.2D-01 9p2 0.0000308 0.1205416 94.0618330** 3.85D-01 ED = -0.185122; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.1D-01 <3sh|9s2>=-3.5D-01 < 1s|9s2>=-1.0D-01 9s2 0.0000308 0.0925953 42.4990336** 4.58D-01 <3dh|9d2>=-9.4D-01 9d2 0.0065684 0.0104293 8.7755364** 3.54D-01 ED = -0.117810; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 1.8D-02 9p3 0.0000308 0.0003936 61.3999917** 1.54D-01 9f1 0.7926619 -0.0431264 1.0029052** 4.45D-02 < 2s|9s1>= 7.3D-07 < 1s|9s1>= 5.5D-07 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.083245 2 -3.524154 3 0.409990 4 -0.075052 5 0.002037 6 0.173184 7 -0.072569 8 0.018668 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 5.98D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 1.28125E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.63985E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.25429E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.54905E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.75183E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.57212E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.42243E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.86810E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0680029 0.4575830 1.0271689 c 1.39D+00 ED = -9.374102; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0164293 78.5020234** 6.11D-01 ED = -0.009815; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.3D-02 9s1 0.0000308 0.0677184 9.5208654** 1.94D-01 ED = -0.101814; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1297276 0.7825677** 2.60D-02 ED = -0.047920; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.2D-01 9p2 0.0000308 -0.1225076 81.4244656** 3.88D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>= 7.9D-02 < 1s|9s2>= 4.0D-01 9s2 0.0895783 -0.65387352510.3964151** 4.47D-01 ED = -0.011201; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.8D-01 9d2 0.0000308 0.0075155 8.6847342** 3.41D-01 ED = -0.118299; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.0D-01 9p3 0.0000308 -0.0159852 65.5436920** 1.54D-01 9f1 0.7255135 -0.0392393 1.0048638** 4.46D-02 < 2s|9s1>=-7.8D-07 < 1s|9s1>=-5.8D-07 < 2s|9s2>= 7.0D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.2D-06 1 0.177843 2 3.081690 3 0.407048 4 0.057353 5 0.115743 6 0.132594 7 0.072620 8 0.016026 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.39D+00 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-2.17604E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.88411E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.40006E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.10443E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.39323E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.05217E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.11120E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.62961E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1627638 0.4454798 0.9735498 c 5.82D-01 9p1 0.9793038 -0.0781062 2.4118743** 4.14D-01 ED = -0.009287; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 9.1D-02 9s1 0.0000308 -0.0755509 9.3062511** 1.94D-01 ED = -0.101381; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1349811 0.7479070** 2.60D-02 ED = -0.066456; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 8.2D-01 9p2 0.0000308 0.1205416 94.0617618** 3.85D-01 ED = -0.185123; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 2.1D-01 <3sh|9s2>=-3.5D-01 < 1s|9s2>=-1.0D-01 9s2 0.0000308 0.0925954 42.4990593** 4.58D-01 <3dh|9d2>=-9.4D-01 9d2 0.0065683 0.0104293 8.7755548** 3.54D-01 ED = -0.117810; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 1.8D-02 9p3 0.0000308 0.0003941 61.4002387** 1.54D-01 9f1 0.7925670 -0.0431242 1.0029275** 4.46D-02 < 2s|9s1>= 7.3D-07 < 1s|9s1>= 5.5D-07 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.083245 2 -3.524153 3 0.409990 4 -0.075052 5 0.002036 6 0.173184 7 -0.072569 8 0.018668 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 5.98D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 1.28125E-02 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.63985E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.25429E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.54908E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.75199E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.57215E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.42243E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.86810E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0680029 0.4575829 1.0271687 c 1.39D+00 ED = -9.374100; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0164293 78.5020015** 6.11D-01 ED = -0.009815; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 2.1D-01 < 1s|9s1>=-9.3D-02 9s1 0.0000308 0.0677184 9.5208688** 1.94D-01 ED = -0.101814; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1297276 0.7825671** 2.60D-02 ED = -0.047920; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-8.2D-01 9p2 0.0000308 -0.1225076 81.4244006** 3.88D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>= 7.9D-02 < 1s|9s2>= 4.0D-01 9s2 0.0895789 -0.65387382510.3447919** 4.47D-01 ED = -0.011200; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-8.8D-01 9d2 0.0000308 0.0075155 8.6847415** 3.41D-01 ED = -0.118299; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.0D-01 9p3 0.0000308 -0.0159851 65.5435668** 1.54D-01 9f1 0.7255421 -0.0392399 1.0048542** 4.46D-02 < 2s|9s1>=-7.8D-07 < 1s|9s1>=-5.8D-07 < 2s|9s2>= 7.0D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.2D-06 1 -0.177843 2 3.081690 3 0.407047 4 0.057353 5 0.115743 6 0.132594 7 0.072620 8 0.016026 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.39D+00 *** CALCULATIONS FOR k^2 = 0.7400 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.371552 2 -0.579205 3 0.343940 4 0.016357 5 0.101448 6 0.065381 7 -0.000585 8 0.023237 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 2.90473E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 9.13749E-01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.34586E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.47171E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.50240E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.58259E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.52137E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.35468E+01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 108points in CSOLVE. End of range: 18.868615759265 au. kpc 0.2226740 0.3962353 0.8659310 c 6.95D-01 9p1 0.4186538 0.0890698 1.8168566** 3.96D-01 < 2s|9s1>= 1.9D-01 < 1s|9s1>= 6.2D-01 9s1 0.0074061 0.4400640 0.4631730** 4.82D-01 ED = -0.090957; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1951585 0.5685831** 2.07D-01 ED = -0.322340; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 5.5D-01 9p2 0.0000308 0.0496155 87.9381085** 3.88D-01 ED = -0.157644; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>= 1.2D-01 <3sh|9s2>=-3.2D-01 < 1s|9s2>=-6.0D-02 9s2 0.0000308 0.0233558 47.5871406** 4.80D-01 ED = -0.014622; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>=-9.4D-01 9d2 0.0000308 0.0255489 7.1238398** 3.92D-01 <2ph|9p3>= 6.2D-01 9p3 3.8068082 -0.3459082 13.1599534** 5.61D-01 ED = -0.093255; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0084729 2.8775001** 3.22D-01 < 2s|9s1>=-3.7D-06 < 1s|9s1>=-2.7D-06 < 2s|9s2>= 5.8D-09 <3sh|9s2>= 1.2D-09 < 1s|9s2>= 4.3D-09 1 0.058993 2 -0.238692 3 0.227339 4 -0.013402 5 0.005493 6 0.089176 7 -0.021968 8 0.028127 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.95D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 7.61440E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.93017E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.22195E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.47107E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.13694E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.90696E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.79930E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.24484E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1858680 0.3876163 0.9782479 c 1.98D-01 ED = -12.161950; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0089374 139.1167020** 5.78D-01 ED = -0.004737; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.4D-01 < 1s|9s1>= 6.8D-02 9s1 0.0000308 -0.1417305 9.4896169** 3.77D-01 9d1 0.0596407 0.1787099 0.9442682** 1.38D-01 <2ph|9p2>=-9.6D-01 9p2 0.3190721 -0.1918005 14.2286323** 4.49D-01 < 2s|9s2>= 1.9D-01 <3sh|9s2>= 2.0D-01 < 1s|9s2>=-3.7D-01 9s2 0.2055614 0.9946516 12.7755247** 6.00D-01 <3dh|9d2>= 3.6D-01 9d2 0.1758333 0.1929011 1.0395673** 3.91D-01 ED = -0.269800; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.0D-01 9p3 0.0000308 0.1042353 37.6277669** 6.02D-01 9f1 0.0923762 -0.0256621 1.1496944** 5.50D-01 < 2s|9s1>= 2.9D-08 < 1s|9s1>= 2.1D-08 < 2s|9s2>=-2.7D-07 <3sh|9s2>=-5.4D-08 < 1s|9s2>=-2.0D-07 1 -0.004579 2 -0.362920 3 0.213178 4 -0.072622 5 0.067634 6 0.087137 7 -0.047973 8 0.030243 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.98D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) = 3.90818E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.28302E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.84315E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.18190E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.10156E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.86075E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.68989E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-4.08353E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2148416 0.3988766 1.0290501 c 1.35D-01 ED = -32.171393; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00251631972.7783954** 4.54D-01 < 2s|9s1>= 6.2D-01 < 1s|9s1>=-3.4D-01 9s1 0.0109856 -0.0866966 2.0009132** 3.45D-01 ED = -0.081360; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1666593 1.0671259** 1.08D-01 <2ph|9p2>=-9.8D-01 9p2 0.0128315 -0.1711282 15.8795476** 7.44D-01 < 2s|9s2>= 7.8D-01 <3sh|9s2>= 5.0D-01 < 1s|9s2>=-3.4D-01 9s2 0.0201222 0.9652603 5.6697269** 6.80D-01 <3dh|9d2>=-7.7D-01 9d2 0.1198047 0.1301544 1.5635466** 3.02D-01 ED = -0.062499; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-4.3D-02 9p3 0.0000308 -0.0274512 6.9283510** 3.81D-01 9f1 0.0223697 -0.0274164 1.1284141** 2.80D-01 < 2s|9s1>= 1.3D-05 < 1s|9s1>= 1.0D-05 < 2s|9s2>=-4.7D-06 <3sh|9s2>=-9.4D-07 < 1s|9s2>=-3.5D-06 1 -0.075333 2 -0.256069 3 0.235223 4 -0.015696 5 -0.049940 6 0.080412 7 -0.034817 8 0.025731 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.35D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 7.03373E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.83933E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.56791E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.96271E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.85042E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.48651E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 9.07153E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.58505E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2377401 0.3895866 0.9767097 c 9.63D-02 9p1 1.7777714 0.2039592 3.7757401** 4.09D-01 ED = -0.004580; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.3D-01 < 1s|9s1>= 7.4D-02 9s1 0.0000308 -0.1340481 7.9109469** 3.09D-01 9d1 0.0515881 0.1816158 0.8859307** 1.12D-01 ED = -0.040627; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 6.8D-01 9p2 0.0000308 0.0637634 55.6093279** 5.39D-01 < 2s|9s2>=-3.0D-01 <3sh|9s2>= 4.8D-02 < 1s|9s2>= 2.6D-01 9s2 0.2777905 -1.4755702 1.2221412** 3.01D-01 <3dh|9d2>= 4.0D-01 9d2 0.1810213 0.2003908 1.0811313** 1.65D-01 ED = -0.009387; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 3.8D-01 9p3 0.0000308 -0.0161692 13.0819514** 3.57D-01 9f1 0.1719741 -0.0287227 1.0708955** 2.71D-01 < 2s|9s1>= 1.7D-08 < 1s|9s1>= 1.2D-08 < 2s|9s2>=-6.9D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.029252 2 -0.403009 3 0.214947 4 -0.060475 5 -0.065923 6 0.085054 7 -0.051398 8 0.030796 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.63D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) = 3.52527E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.15770E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.97739E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.20976E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.13617E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.97347E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.74777E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.28316E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1878178 0.3984272 1.0226921 c 2.66D-01 ED = -24.859592; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0025661 307.8547073** 5.66D-01 < 2s|9s1>= 6.2D-01 < 1s|9s1>=-3.3D-01 9s1 0.0105747 -0.0675273 1.8851832** 3.39D-01 ED = -0.093685; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1715202 1.0254510** 1.02D-01 <2ph|9p2>=-9.9D-01 9p2 0.0457886 -0.1787080 42.6723495** 4.41D-01 ED = -0.037863; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s2>=-9.9D-02 <3sh|9s2>=-3.1D-01 < 1s|9s2>= 4.5D-02 9s2 0.0000308 -0.1792186 38.7010456** 4.26D-01 <3dh|9d2>=-8.4D-01 9d2 0.0828227 0.1076594 1.9271845** 3.77D-01 ED = -0.024139; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 7.1D-02 9p3 0.0000308 -0.0051663 6.5641696** 3.32D-01 ED = -0.020932; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0238204 1.2601363** 2.67D-01 < 2s|9s1>= 1.7D-05 < 1s|9s1>= 1.2D-05 < 2s|9s2>= 9.9D-08 <3sh|9s2>= 2.0D-08 < 1s|9s2>= 7.4D-08 1 0.105724 2 -0.265856 3 0.229484 4 0.014627 5 0.010841 6 0.080768 7 -0.029306 8 0.028105 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.66D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 6.76129E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.77100E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.76978E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-8.89230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.06165E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.57563E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.41692E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.01150E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2363213 0.3895987 0.9778416 c 2.05D-01 9p1 1.2418266 -0.1681449 3.4541099** 4.09D-01 ED = -0.005456; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.5D-01 < 1s|9s1>= 7.7D-02 9s1 0.0000308 -0.1259802 9.3363531** 3.16D-01 9d1 0.0531347 0.1815436 0.9094298** 1.06D-01 <2ph|9p2>= 9.7D-01 9p2 0.4503701 0.1777423 10.1627924** 4.52D-01 < 2s|9s2>=-2.2D-01 <3sh|9s2>= 2.6D-01 < 1s|9s2>= 1.1D-01 9s2 0.1898729 1.1696631 7.5072345** 3.99D-01 <3dh|9d2>= 3.3D-01 9d2 0.1987762 0.2042612 1.0505123** 1.39D-01 <2ph|9p3>= 7.4D-01 9p3 0.0048457 -0.0073246 8.6719908** 4.13D-01 9f1 0.1666228 -0.0301484 0.9483487** 2.51D-01 < 2s|9s1>= 6.0D-08 < 1s|9s1>= 4.4D-08 < 2s|9s2>=-3.3D-07 <3sh|9s2>=-6.8D-08 < 1s|9s2>=-2.5D-07 <2ph|9p3>= 1.1D-10 1 -0.037024 2 -0.268950 3 0.213290 4 0.068230 5 0.065618 6 0.084484 7 -0.071527 8 0.030187 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.05D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) = 5.25932E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.72985E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.72320E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.23444E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.49557E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.98900E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.85693E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.63312E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1836343 0.3979183 1.0213544 c 2.87D-01 ED = -19.647903; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0025056 247.7315329** 5.64D-01 < 2s|9s1>= 6.3D-01 < 1s|9s1>=-3.4D-01 9s1 0.0106853 -0.0489028 2.7292277** 3.53D-01 ED = -0.061205; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1721266 1.0373564** 9.11D-02 <2ph|9p2>= 1.0D+00 9p2 0.0306494 0.1856992 17.2281340** 7.81D-01 < 2s|9s2>= 8.9D-01 <3sh|9s2>= 2.3D-01 < 1s|9s2>=-3.9D-01 9s2 0.0396509 1.0131346 5.4109376** 7.13D-01 <3dh|9d2>=-6.3D-01 9d2 0.1321738 0.1622136 1.2987143** 2.06D-01 ED = -0.032772; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 3.6D-01 9p3 0.0000308 0.0225366 4.3598758** 4.37D-01 9f1 0.0305299 -0.0301246 1.0091775** 1.03D-01 < 2s|9s1>= 2.5D-05 < 1s|9s1>= 1.8D-05 < 2s|9s2>=-8.5D-06 <3sh|9s2>=-1.7D-06 < 1s|9s2>=-6.3D-06 1 -0.079166 2 -0.256029 3 0.224631 4 0.031023 5 -0.025328 6 0.080738 7 -0.044445 8 0.026714 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.87D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 6.98030E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.83291E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 7.87377E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.84595E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.35775E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.08109E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.42477E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.92403E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2381516 0.3897247 0.9794089 c 2.29D-01 9p1 1.6708378 0.1958097 3.7560084** 4.09D-01 ED = -0.004889; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.4D-01 < 1s|9s1>= 7.7D-02 9s1 0.0000308 -0.1365516 8.4285721** 3.12D-01 9d1 0.0572516 0.1819241 0.9230442** 8.91D-02 <2ph|9p2>= 1.0D+00 9p2 0.0783121 0.18475521982.4813571** 5.74D-01 < 2s|9s2>=-2.0D-01 <3sh|9s2>=-1.3D-01 < 1s|9s2>= 2.7D-01 9s2 0.4852015 -1.4667259 1.9227485** 4.54D-01 <3dh|9d2>= 3.5D-01 9d2 0.2117608 0.2016057 1.0665908** 1.38D-01 <2ph|9p3>=-4.6D-01 9p3 0.0797052 -0.4338956 1.7748028** 5.76D-01 9f1 0.1468868 -0.0305955 1.0019098** 6.07D-02 < 2s|9s1>= 3.8D-08 < 1s|9s1>= 2.8D-08 < 2s|9s2>= 4.1D-08 <3sh|9s2>= 8.3D-09 < 1s|9s2>= 3.1D-08 1 0.032098 2 -0.321918 3 0.213041 4 -0.069546 5 -0.063011 6 0.083510 7 -0.064781 8 0.028111 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.29D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) = 4.39082E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.44528E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.48824E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.27469E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-8.60210E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.14875E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 8.66694E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.33418E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1876951 0.3976537 1.0203450 c 2.69D-01 ED = -22.679600; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0026256 282.8240478** 5.65D-01 < 2s|9s1>= 6.2D-01 < 1s|9s1>=-3.3D-01 9s1 0.0106667 -0.0494733 2.3682550** 3.38D-01 ED = -0.071873; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1752292 1.0155474** 8.62D-02 <2ph|9p2>=-9.9D-01 9p2 0.0420971 -0.1795042 26.7774642** 5.35D-01 < 2s|9s2>=-4.9D-01 <3sh|9s2>=-8.1D-01 < 1s|9s2>= 2.2D-01 9s2 0.0135261 -0.7884352 8.3060353** 6.13D-01 <3dh|9d2>=-7.7D-01 9d2 0.1233295 0.1308727 1.5951368** 3.09D-01 ED = -0.030389; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 5.8D-01 9p3 0.0000308 0.0736527 4.4726798** 6.96D-01 9f1 0.0825452 -0.0309757 1.0294701** 1.28D-01 < 2s|9s1>= 2.3D-05 < 1s|9s1>= 1.7D-05 < 2s|9s2>= 1.1D-06 <3sh|9s2>= 2.2D-07 < 1s|9s2>= 8.2D-07 1 0.090542 2 -0.266460 3 0.222461 4 -0.006710 5 0.050654 6 0.079626 7 -0.043929 8 0.025338 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.69D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 6.73287E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.76078E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.91788E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.90785E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.69046E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.44930E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 9.86741E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.74385E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2371356 0.3893679 0.9791634 c 2.08D-01 9p1 1.4576833 -0.1828356 3.6170738** 4.09D-01 ED = -0.004365; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.5D-01 < 1s|9s1>= 7.7D-02 9s1 0.0000308 -0.1341391 8.5168752** 3.17D-01 9d1 0.0575511 0.1819598 0.9321261** 8.90D-02 ED = -0.422813; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 7.0D-01 9p2 0.0000308 0.0684001 137.4822725** 5.66D-01 < 2s|9s2>= 1.2D-01 <3sh|9s2>= 1.1D-01 < 1s|9s2>=-6.7D-02 9s2 0.1964536 1.5208114 1.4034754** 3.93D-01 <3dh|9d2>= 3.7D-01 9d2 0.2006323 0.2025804 1.0781074** 1.66D-01 <2ph|9p3>=-8.6D-01 9p3 0.0352085 -0.3593333 4.0408251** 5.91D-01 9f1 0.1762112 -0.0313970 1.0208903** 1.60D-01 < 2s|9s1>= 4.5D-08 < 1s|9s1>= 3.4D-08 < 2s|9s2>= 1.4D-07 <3sh|9s2>= 2.8D-08 < 1s|9s2>= 1.0D-07 1 -0.033417 2 -0.296372 3 0.213182 4 -0.061079 5 0.070777 6 0.083580 7 -0.069949 8 0.028636 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.08D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) = 4.74225E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.56912E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.63158E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.14198E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.07945E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.69503E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.76302E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.78733E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1856276 0.3979377 1.0220094 c 2.77D-01 ED = -21.775126; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0024115 274.2575600** 5.64D-01 < 2s|9s1>= 6.3D-01 < 1s|9s1>=-3.3D-01 9s1 0.0106806 -0.0520911 2.5456921** 3.42D-01 ED = -0.065614; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1742879 1.0229473** 8.91D-02 <2ph|9p2>=-1.0D+00 9p2 0.0727197 -0.1839508 208.1362673** 4.45D-01 < 2s|9s2>= 8.7D-01 <3sh|9s2>= 3.0D-01 < 1s|9s2>=-3.8D-01 9s2 0.0400726 0.9844961 6.0328206** 7.16D-01 <3dh|9d2>=-6.9D-01 9d2 0.1347124 0.1509168 1.3950273** 2.50D-01 ED = -0.053624; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 4.5D-01 9p3 0.0000308 0.0433916 4.2582786** 6.23D-01 9f1 0.0597845 -0.0311537 1.0173570** 1.32D-01 < 2s|9s1>= 2.2D-05 < 1s|9s1>= 1.6D-05 < 2s|9s2>=-9.5D-06 <3sh|9s2>=-1.9D-06 < 1s|9s2>=-7.1D-06 1 -0.074832 2 -0.258357 3 0.221946 4 0.037507 5 -0.030727 6 0.077806 7 -0.035319 8 0.025757 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.77D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 6.96796E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.81597E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 6.64327E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.20765E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.87228E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.89147E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.19566E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.13666E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2385606 0.3886782 0.9767314 c 2.22D-01 9p1 1.7781301 0.2052790 3.7983243** 4.09D-01 ED = -0.004867; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.4D-01 < 1s|9s1>= 7.5D-02 9s1 0.0000308 -0.1272096 8.6325756** 3.15D-01 9d1 0.0562609 0.1823420 0.9305592** 8.89D-02 <2ph|9p2>= 9.8D-01 9p2 0.2834470 0.1952032 6.8751166** 4.64D-01 < 2s|9s2>=-2.3D-01 <3sh|9s2>=-3.1D-01 < 1s|9s2>= 3.4D-01 9s2 0.4483574 -1.3940562 1.6280234** 3.95D-01 <3dh|9d2>= 2.9D-01 9d2 0.2049826 0.2071661 1.0708496** 1.58D-01 <2ph|9p3>=-6.9D-01 9p3 0.0690910 -0.4086686 3.0613241** 5.98D-01 9f1 0.1720430 -0.0307221 1.0278340** 1.39D-01 < 2s|9s1>= 4.0D-08 < 1s|9s1>= 3.0D-08 < 2s|9s2>= 1.6D-07 <3sh|9s2>= 3.3D-08 < 1s|9s2>= 1.2D-07 1 0.031036 2 -0.313923 3 0.211869 4 0.069999 5 -0.060125 6 0.084335 7 -0.066848 8 0.028708 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.22D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) = 4.48003E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.48024E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.75715E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.34514E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.42302E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.33313E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.44500E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.82845E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1901343 0.3981597 1.0243942 c 2.55D-01 ED = -23.419436; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0024680 294.0542237** 5.65D-01 < 2s|9s1>= 6.2D-01 < 1s|9s1>=-3.4D-01 9s1 0.0106732 -0.0638196 2.3513881** 3.43D-01 ED = -0.069537; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1717292 1.0421762** 9.61D-02 <2ph|9p2>= 9.9D-01 9p2 0.0233069 0.1803931 16.9362833** 7.76D-01 < 2s|9s2>=-5.4D-01 <3sh|9s2>=-7.8D-01 < 1s|9s2>= 2.3D-01 9s2 0.0040227 -0.9044516 6.0221227** 6.29D-01 <3dh|9d2>=-7.2D-01 9d2 0.1157509 0.1440576 1.4587806** 2.65D-01 ED = -0.042921; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.0D-02 9p3 0.0000308 -0.0278756 4.0064370** 5.03D-01 9f1 0.0743450 -0.0313070 1.0085791** 1.17D-01 < 2s|9s1>= 1.8D-05 < 1s|9s1>= 1.3D-05 < 2s|9s2>= 5.8D-07 <3sh|9s2>= 1.2D-07 < 1s|9s2>= 4.4D-07 1 0.101456 2 -0.265638 3 0.227244 4 0.024927 5 0.024080 6 0.080706 7 -0.045694 8 0.025937 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.55D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 6.74730E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.76694E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.04632E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-3.99743E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.82623E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.15364E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.30255E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.92346E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2368488 0.3898295 0.9790781 c 1.97D-01 9p1 1.2831077 -0.1700810 3.5217601** 4.09D-01 ED = -0.004692; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.5D-01 < 1s|9s1>= 7.8D-02 9s1 0.0000308 -0.1335793 8.8761182** 3.17D-01 9d1 0.0560655 0.1817090 0.9158184** 9.51D-02 <2ph|9p2>=-9.7D-01 9p2 0.0342901 -0.1545047 49.4842420** 5.01D-01 < 2s|9s2>=-1.7D-01 <3sh|9s2>=-2.9D-01 < 1s|9s2>= 9.2D-02 9s2 0.1517430 0.9832671 3.7232192** 4.20D-01 <3dh|9d2>= 4.6D-01 9d2 0.1865100 0.1951049 1.1149907** 1.89D-01 <2ph|9p3>= 5.6D-01 9p3 0.0059168 -0.0832944 4.4404101** 4.52D-01 9f1 0.1608050 -0.0302454 1.0286944** 1.16D-01 < 2s|9s1>= 5.5D-08 < 1s|9s1>= 4.1D-08 < 2s|9s2>=-5.4D-07 <3sh|9s2>=-1.1D-07 < 1s|9s2>=-4.0D-07 1 -0.036235 2 -0.294435 3 0.213014 4 0.091067 5 0.066866 6 0.082198 7 -0.080332 8 0.029692 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.97D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) = 4.83686E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.57795E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86594E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.21024E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.01802E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.91338E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.18094E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-8.50478E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1841026 0.3968780 1.0180811 c 2.87D-01 ED = -20.080300; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0027715 251.3786298** 5.64D-01 < 2s|9s1>= 6.4D-01 < 1s|9s1>=-3.4D-01 9s1 0.0106476 -0.0451281 2.4491944** 3.54D-01 ED = -0.070870; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1748076 1.0168544** 8.78D-02 <2ph|9p2>= 1.0D+00 9p2 0.0615892 0.1832457 41.2099550** 5.74D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>= 1.2D-01 < 1s|9s2>= 4.0D-01 9s2 0.0725670 -0.6290927 178.4637736** 6.76D-01 <3dh|9d2>=-7.7D-01 9d2 0.1227519 0.1309432 1.6173717** 3.08D-01 ED = -0.056370; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 5.1D-01 9p3 0.0000308 0.0662933 4.7110973** 5.16D-01 9f1 0.0369793 -0.0299988 1.0185887** 1.27D-01 < 2s|9s1>= 2.7D-05 < 1s|9s1>= 2.0D-05 < 2s|9s2>= 7.1D-06 <3sh|9s2>= 1.4D-06 < 1s|9s2>= 5.3D-06 1 -0.062698 2 -0.247475 3 0.221640 4 -0.018791 5 0.050486 6 0.079578 7 -0.034100 8 0.025788 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.87D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 7.24512E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.89307E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.22942E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.94693E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.19111E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.36840E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.35497E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.19855E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2389233 0.3887607 0.9795470 c 2.29D-01 9p1 2.1483259 0.2250274 3.9355968** 4.08D-01 ED = -0.004521; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.4D-01 < 1s|9s1>= 7.2D-02 9s1 0.0000308 -0.1308950 8.7170235** 3.18D-01 9d1 0.0578224 0.1824986 0.9299114** 8.86D-02 <2ph|9p2>=-9.7D-01 9p2 0.3914989 -0.1784058 8.6540162** 4.67D-01 < 2s|9s2>= 3.9D-01 <3sh|9s2>= 2.6D-01 < 1s|9s2>=-3.3D-01 9s2 0.3276507 1.5288953 1.1992294** 2.91D-01 <3dh|9d2>= 3.1D-01 9d2 0.2137175 0.2080462 1.0376131** 1.27D-01 <2ph|9p3>=-5.9D-01 9p3 0.0715160 -0.4200468 2.8394070** 5.99D-01 9f1 0.1906538 -0.0310300 1.0131650** 1.32D-01 < 2s|9s1>= 3.2D-08 < 1s|9s1>= 2.4D-08 < 2s|9s2>= 1.1D-07 <3sh|9s2>= 2.2D-08 < 1s|9s2>= 8.2D-08 1 0.028643 2 -0.333335 3 0.211716 4 -0.066015 5 0.064608 6 0.084008 7 -0.066607 8 0.028410 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.29D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) = 4.21866E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.39614E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.31326E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.25267E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.31232E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.03295E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.60113E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.21271E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1922967 0.3984001 1.0247952 c 2.42D-01 ED = -25.380488; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0024367 318.2655608** 5.65D-01 < 2s|9s1>= 6.2D-01 < 1s|9s1>=-3.3D-01 9s1 0.0106864 -0.0641739 2.2234444** 3.41D-01 ED = -0.074255; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1712239 1.0445015** 9.81D-02 <2ph|9p2>=-9.8D-01 9p2 0.0111622 -0.1749554 15.6519894** 7.81D-01 < 2s|9s2>= 6.8D-01 <3sh|9s2>= 6.6D-01 < 1s|9s2>=-2.9D-01 9s2 0.0055756 1.0350721 4.5961162** 6.64D-01 <3dh|9d2>=-7.4D-01 9d2 0.1077329 0.1391397 1.5177474** 2.84D-01 ED = -0.048386; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-4.4D-02 9p3 0.0000308 -0.0471796 4.2763942** 4.64D-01 9f1 0.0728100 -0.0316570 1.0096809** 1.19D-01 < 2s|9s1>= 1.8D-05 < 1s|9s1>= 1.3D-05 < 2s|9s2>=-1.7D-06 <3sh|9s2>=-3.4D-07 < 1s|9s2>=-1.3D-06 1 0.099731 2 -0.266542 3 0.228706 4 -0.022443 5 -0.020909 6 0.080505 7 -0.043599 8 0.025976 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.42D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 6.72800E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.76282E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.16935E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.61681E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.13552E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.32797E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.23218E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.08600E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2367326 0.3898669 0.9785813 c 1.88D-01 9p1 1.3087259 -0.1722119 3.5359319** 4.09D-01 ED = -0.004658; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.5D-01 < 1s|9s1>= 7.8D-02 9s1 0.0000308 -0.1333385 8.7465515** 3.17D-01 9d1 0.0550989 0.1815755 0.9113112** 9.90D-02 <2ph|9p2>= 9.7D-01 9p2 0.0327497 0.1524065 53.1945746** 4.72D-01 < 2s|9s2>= 5.1D-02 <3sh|9s2>= 2.3D-01 < 1s|9s2>=-2.8D-02 9s2 0.1940356 -1.2147982 3.6088546** 3.98D-01 <3dh|9d2>= 4.5D-01 9d2 0.1858616 0.1957921 1.1134155** 1.81D-01 <2ph|9p3>= 5.0D-01 9p3 0.0033804 -0.0860783 4.9134723** 4.42D-01 9f1 0.1606933 -0.0299565 1.0343756** 1.22D-01 < 2s|9s1>= 5.2D-08 < 1s|9s1>= 3.8D-08 < 2s|9s2>= 2.2D-07 <3sh|9s2>= 4.4D-08 < 1s|9s2>= 1.6D-07 1 -0.035794 2 -0.304872 3 0.213303 4 -0.090672 5 -0.065282 6 0.082458 7 -0.079317 8 0.029918 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.88D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) = 4.67475E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.52479E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.89161E-03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.23762E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.03304E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.00970E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.64210E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.75064E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1842990 0.3969611 1.0181965 c 2.85D-01 ED = -20.328601; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0027761 254.0832262** 5.64D-01 < 2s|9s1>= 6.4D-01 < 1s|9s1>=-3.3D-01 9s1 0.0106339 -0.0450507 2.3809204** 3.52D-01 ED = -0.073611; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 0.1745037 1.0169419** 8.91D-02 <2ph|9p2>=-1.0D+00 9p2 0.0588574 -0.1828576 36.5947633** 5.72D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>=-1.5D-01 < 1s|9s2>= 4.0D-01 9s2 0.0580012 -0.8091936 16.2875746** 7.46D-01 <3dh|9d2>=-7.4D-01 9d2 0.1534021 0.1377167 1.5249581** 2.87D-01 ED = -0.064872; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 7.0D-01 9p3 0.0000308 0.1123089 4.8796622** 5.79D-01 9f1 0.0208877 -0.0283319 1.0860491** 2.02D-01 < 2s|9s1>= 2.7D-05 < 1s|9s1>= 2.0D-05 < 2s|9s2>= 6.6D-06 <3sh|9s2>= 1.3D-06 < 1s|9s2>= 4.9D-06 1 -0.063891 2 -0.250082 3 0.222549 4 0.015374 5 0.047605 6 0.078911 7 -0.034965 8 0.025744 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.85D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 7.18210E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.87400E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.53661E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.06088E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.70671E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.70092E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.97894E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.11543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2387877 0.3888847 0.9796545 c 2.28D-01 9p1 2.1086218 0.2229666 3.9179648** 4.08D-01 ED = -0.004405; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-1.4D-01 < 1s|9s1>= 7.2D-02 9s1 0.0000308 -0.1331549 8.4885439** 3.15D-01 9d1 0.0577027 0.1822536 0.9281371** 8.99D-02 <2ph|9p2>= 9.6D-01 9p2 0.4412484 0.1705492 9.2456654** 4.68D-01 < 2s|9s2>= 3.8D-01 <3sh|9s2>= 2.4D-01 < 1s|9s2>=-3.3D-01 9s2 0.3414449 1.5247133 1.2299172** 2.98D-01 <3dh|9d2>= 3.1D-01 9d2 0.2080913 0.2070288 1.0557935** 1.48D-01 <2ph|9p3>=-7.8D-01 9p3 0.0530457 -0.3908113 3.7967210** 6.10D-01 9f1 0.1890581 -0.0311056 1.0119822** 1.88D-01 < 2s|9s1>= 2.8D-08 < 1s|9s1>= 2.1D-08 < 2s|9s2>= 9.2D-08 <3sh|9s2>= 1.9D-08 < 1s|9s2>= 6.8D-08 1 0.028977 2 -0.347857 3 0.211858 4 0.064788 5 0.064037 6 0.084230 7 -0.066962 8 0.028339 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.28D-01 *** CALCULATIONS FOR k^2 = 0.7200 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 0.027106 2 -0.134836 3 0.208004 4 0.062734 5 0.062804 6 0.082514 7 -0.064920 8 0.028324 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 1.04782E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.45070E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.00008E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.29911E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.38769E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.14966E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.65131E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.68101E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 108points in CSOLVE. End of range: 18.868615759265 au. kpc 0.1909959 0.3901175 1.0031700 c 2.50D-01 ED = -26.767785; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0018934 324.9193856** 5.57D-01 < 2s|9s1>= 5.2D-01 < 1s|9s1>=-4.0D-01 9s1 0.0302146 -0.5149931 2.9607654** 4.07D-01 9d1 0.0187097 0.1790048 1.0273378** 5.55D-02 <2ph|9p2>=-9.8D-01 9p2 0.1081512 -0.1761496 11.8569951** 8.50D-01 < 2s|9s2>= 3.0D-01 <3sh|9s2>=-6.7D-01 < 1s|9s2>= 3.1D-02 9s2 0.0748473 1.0292594 1.8322286** 2.91D-01 <3dh|9d2>=-9.2D-02 9d2 0.1334061 0.2176987 0.9934247** 6.19D-02 <2ph|9p3>= 3.0D-01 9p3 0.1070862 -0.3291552 0.9987194** 1.68D-01 9f1 0.0740046 -0.0309760 1.0118994** 5.52D-02 < 2s|9s1>= 1.7D-06 < 1s|9s1>= 1.3D-06 < 2s|9s2>= 4.7D-08 <3sh|9s2>= 9.4D-09 < 1s|9s2>= 3.5D-08 1 0.111572 2 -0.203193 3 0.206631 4 0.061246 5 0.066176 6 0.074929 7 -0.049504 8 0.024890 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.50D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 8.68654E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.35916E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.61127E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.55396E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.28268E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.31717E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.65245E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.24658E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2427410 0.3802691 0.9747555 c 2.13D-01 9p1 1.2021449 -0.1604334 3.3927402** 4.15D-01 < 2s|9s1>=-2.9D-01 < 1s|9s1>= 2.7D-01 9s1 0.0073148 -0.7844497 1.2035362** 2.74D-01 9d1 0.0310459 0.1829494 0.9902808** 2.74D-02 <2ph|9p2>= 9.9D-01 9p2 0.1800745 0.1934811 4.8991413** 5.72D-01 < 2s|9s2>=-2.8D-01 <3sh|9s2>= 4.4D-01 < 1s|9s2>= 6.3D-02 9s2 0.1901283 1.0149429 1.0946428** 1.82D-01 <3dh|9d2>= 9.9D-02 9d2 0.1916734 0.2243088 1.0031921** 5.08D-02 <2ph|9p3>=-1.9D-01 9p3 0.1474572 -0.4521024 1.0150342** 7.40D-02 9f1 0.1280643 -0.0343663 0.9834924** 3.86D-02 < 2s|9s1>=-1.0D-07 < 1s|9s1>=-7.8D-08 < 2s|9s2>=-7.3D-07 <3sh|9s2>=-1.5D-07 < 1s|9s2>=-5.5D-07 1 -0.043311 2 -0.243898 3 0.206002 4 0.058562 5 0.048355 6 0.077019 7 -0.048631 8 0.026010 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.13D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) = 6.70718E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.92653E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.25250E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.71899E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.39629E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.50023E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.63817E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-8.45413E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2003021 0.3839940 1.0097952 c 2.12D-01 ED = -17.062647; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0058741 192.5564280** 5.39D-01 < 2s|9s1>= 1.8D-01 < 1s|9s1>=-1.6D-01 9s1 0.0339937 -1.0703551 0.8433669** 1.72D-01 9d1 0.0004064 0.1758827 1.0497390** 5.58D-02 <2ph|9p2>=-9.9D-01 9p2 0.1013665 -0.1839059 19.1430634** 8.52D-01 < 2s|9s2>=-8.5D-01 <3sh|9s2>=-6.8D-02 < 1s|9s2>= 4.0D-01 9s2 0.0776817 -0.5319571 9.9105227** 6.55D-01 <3dh|9d2>=-1.3D-01 9d2 0.1325191 0.2283253 0.9916768** 8.46D-02 <2ph|9p3>= 3.8D-01 9p3 0.1039513 -0.3531060 1.0360703** 2.28D-01 9f1 0.0797755 -0.0334203 1.0132920** 7.76D-02 < 2s|9s1>= 1.6D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>= 6.3D-06 <3sh|9s2>= 1.3D-06 < 1s|9s2>= 4.7D-06 1 -0.054961 2 -0.187003 3 0.213048 4 0.064165 5 0.051086 6 0.073919 7 -0.045786 8 0.024949 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.12D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 9.26932E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.54077E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.52861E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.84231E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.85865E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.39044E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.25295E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.52112E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2416174 0.3816312 0.9938468 c 1.71D-01 9p1 2.5750099 0.2330898 3.9534424** 4.11D-01 < 2s|9s1>=-5.4D-02 < 1s|9s1>= 7.2D-02 9s1 0.0210187 -1.1033949 1.0045818** 6.01D-02 9d1 0.0277260 0.1833021 0.9587141** 4.25D-02 <2ph|9p2>= 7.2D-01 9p2 0.1591459 0.1477138 1.2271235** 2.98D-01 < 2s|9s2>=-4.8D-01 <3sh|9s2>= 3.2D-01 < 1s|9s2>= 2.0D-01 9s2 0.1632276 0.6789909 1.4381679** 2.47D-01 <3dh|9d2>=-9.9D-02 9d2 0.1533643 0.2236721 1.0290085** 6.20D-02 <2ph|9p3>=-5.3D-01 9p3 0.1333214 -0.4869638 1.1818712** 2.52D-01 9f1 0.1138398 -0.0335563 0.9982902** 5.25D-02 < 2s|9s1>= 3.0D-09 < 1s|9s1>= 2.3D-09 < 2s|9s2>=-1.8D-06 <3sh|9s2>=-3.7D-07 < 1s|9s2>=-1.3D-06 <3dh|9d2>=-2.0D-10 1 0.035513 2 -0.190471 3 0.205034 4 0.060664 5 0.046351 6 0.075630 7 -0.045572 8 0.025556 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.71D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) = 8.95579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.47756E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 9.03534E-02 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.85897E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.10097E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.73466E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.47337E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.09194E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2095304 0.3815363 0.9997513 c 1.53D-01 ED = -20.906235; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0068350 236.9536337** 5.35D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>=-5.8D-03 9s1 0.0303850 -1.1821646 0.9713608** 2.57D-02 9d1 0.0283686 0.1831641 0.9987491** 9.30D-03 <2ph|9p2>=-3.4D-01 9p2 0.1506563 -0.0476811 1.1187604** 1.76D-01 < 2s|9s2>= 2.5D-01 <3sh|9s2>=-1.6D-01 < 1s|9s2>=-1.3D-01 9s2 0.1578466 1.4140993 1.0802129** 1.30D-01 <3dh|9d2>= 2.2D-02 9d2 0.1659423 0.2285155 0.9927661** 1.90D-02 <2ph|9p3>=-1.2D-01 9p3 0.1545103 -0.4679839 1.0153829** 6.43D-02 9f1 0.1312848 -0.0334506 0.9966433** 1.37D-02 < 2s|9s1>=-2.7D-08 < 1s|9s1>=-2.0D-08 < 2s|9s2>= 1.5D-07 <3sh|9s2>= 3.0D-08 < 1s|9s2>= 1.1D-07 1 0.037485 2 -0.184199 3 0.204015 4 0.060274 5 0.053573 6 0.074923 7 -0.045493 8 0.024501 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.53D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 9.28344E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.56906E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.20155E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.70672E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48804E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.06674E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.06530E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.11193E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2415359 0.3821377 1.0015763 c 1.33D-01 9p1 3.7706203 -0.2732121 4.2419847** 4.12D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 1.4D-02 9s1 0.0272710 -1.1776036 0.9985663** 1.37D-02 9d1 0.0288848 0.1832294 1.0016439** 7.80D-03 <2ph|9p2>= 1.2D-01 9p2 0.1585999 0.0427427 0.9887341** 5.13D-02 < 2s|9s2>=-3.2D-01 <3sh|9s2>= 3.4D-02 < 1s|9s2>= 1.7D-01 9s2 0.1644060 0.9685121 1.1207345** 1.84D-01 <3dh|9d2>=-1.5D-02 9d2 0.1689572 0.2274745 1.0013653** 9.56D-03 <2ph|9p3>= 1.0D-02 9p3 0.1573369 -0.4426901 1.0014248** 5.58D-03 9f1 0.1538553 -0.0347259 0.9933922** 8.45D-03 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-6.6D-07 <3sh|9s2>=-1.3D-07 < 1s|9s2>=-4.9D-07 <3dh|9d2>=-1.3D-09 1 -0.031497 2 -0.186956 3 0.205046 4 0.061760 5 0.047749 6 0.075093 7 -0.045964 8 0.025141 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.33D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) = 9.14812E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.52926E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.02453E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.81055E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.03826E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.56884E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.54175E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.11952E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2130556 0.3814999 0.9983310 c 1.34D-01 ED = -23.554077; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0068702 267.6576033** 5.35D-01 < 2s|9s1>= 2.7D-03 < 1s|9s1>=-1.5D-03 9s1 0.0300601 -1.1544956 0.9935146** 1.05D-02 9d1 0.0294793 0.1832175 0.9978856** 8.92D-03 <2ph|9p2>=-1.3D-01 9p2 0.1549252 -0.0083732 1.0220529** 5.91D-02 < 2s|9s2>= 2.4D-01 <3sh|9s2>=-7.0D-02 < 1s|9s2>=-1.2D-01 9s2 0.1631036 1.4624942 1.0244825** 1.19D-01 <3dh|9d2>= 1.2D-02 9d2 0.1678634 0.2282377 0.9998487** 7.86D-03 <2ph|9p3>=-1.4D-01 9p3 0.1588321 -0.4680605 1.0084456** 5.97D-02 9f1 0.1392233 -0.0336222 1.0057086** 6.78D-03 < 2s|9s1>= 3.1D-09 < 1s|9s1>= 2.3D-09 < 2s|9s2>= 1.7D-07 <3sh|9s2>= 3.5D-08 < 1s|9s2>= 1.3D-07 1 -0.036563 2 -0.184222 3 0.203905 4 0.060003 5 0.053286 6 0.075032 7 -0.045478 8 0.024444 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.34D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 9.28051E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.56920E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.20192E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.71461E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.60987E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.09047E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.01294E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.11633E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414769 0.3821662 1.0017464 c 1.18D-01 9p1 3.8613715 0.2759487 4.2626870** 4.12D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 1.5D-02 9s1 0.0275469 -1.1799815 0.9973397** 1.32D-02 9d1 0.0290314 0.1832261 1.0022346** 8.96D-03 <2ph|9p2>= 1.1D-01 9p2 0.1587659 0.0404887 0.9939930** 4.51D-02 < 2s|9s2>=-3.0D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.7D-01 9s2 0.1641935 0.9908367 1.1155084** 1.76D-01 <3dh|9d2>=-1.3D-02 9d2 0.1689111 0.2274671 1.0003880** 7.81D-03 <2ph|9p3>= 4.4D-02 9p3 0.1579791 -0.4355219 1.0020338** 1.92D-02 9f1 0.1557842 -0.0347668 0.9943932** 7.18D-03 < 2s|9s1>=-3.6D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-6.0D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.5D-07 <3dh|9d2>=-1.2D-09 1 0.031200 2 -0.186850 3 0.205054 4 0.061778 5 0.047828 6 0.075097 7 -0.045966 8 0.025125 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.18D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) = 9.15436E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.53111E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.02859E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.80782E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.03529E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.56008E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.54699E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.12113E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2133051 0.3814971 0.9982492 c 1.32D-01 ED = -23.774699; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0068695 270.2259297** 5.35D-01 < 2s|9s1>= 4.5D-03 < 1s|9s1>=-1.5D-03 9s1 0.0300449 -1.1514674 0.9947324** 1.01D-02 9d1 0.0294524 0.1832096 0.9979038** 9.01D-03 <2ph|9p2>=-1.2D-01 9p2 0.1550826 -0.0082192 1.0208858** 5.82D-02 < 2s|9s2>= 2.3D-01 <3sh|9s2>=-6.8D-02 < 1s|9s2>=-1.2D-01 9s2 0.1632312 1.4603793 1.0220986** 1.17D-01 <3dh|9d2>= 1.2D-02 9d2 0.1678328 0.2282144 0.9999104** 7.47D-03 <2ph|9p3>=-1.4D-01 9p3 0.1589990 -0.4682291 1.0085481** 6.02D-02 9f1 0.1396342 -0.0336319 1.0059420** 7.10D-03 < 2s|9s1>= 6.5D-09 < 1s|9s1>= 4.9D-09 < 2s|9s2>= 1.7D-07 <3sh|9s2>= 3.5D-08 < 1s|9s2>= 1.3D-07 1 0.036546 2 -0.184237 3 0.203906 4 0.059990 5 0.053272 6 0.075037 7 -0.045474 8 0.024441 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.32D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 9.28008E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.56901E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.20349E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.71510E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.61136E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.09163E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.00903E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.11735E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414754 0.3821645 1.0017495 c 1.17D-01 9p1 3.8629681 -0.2760032 4.2632439** 4.12D-01 < 2s|9s1>=-3.1D-02 < 1s|9s1>= 1.5D-02 9s1 0.0275490 -1.1802140 0.9971505** 1.32D-02 9d1 0.0290492 0.1832281 1.0022116** 9.02D-03 <2ph|9p2>= 1.1D-01 9p2 0.1587822 0.0412445 0.9944776** 4.65D-02 < 2s|9s2>=-3.0D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.7D-01 9s2 0.1641897 0.9924603 1.1150614** 1.75D-01 <3dh|9d2>=-1.3D-02 9d2 0.1689156 0.2274691 1.0003276** 7.71D-03 <2ph|9p3>= 4.5D-02 9p3 0.1579735 -0.4353226 1.0021291** 1.96D-02 9f1 0.1558347 -0.0347677 0.9944625** 7.10D-03 < 2s|9s1>=-3.6D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-6.0D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.4D-07 <3dh|9d2>=-1.2D-09 1 -0.031190 2 -0.186848 3 0.205053 4 0.061774 5 0.047832 6 0.075098 7 -0.045966 8 0.025124 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.17D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) = 9.15433E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.53113E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.02825E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.80767E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.03535E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.55965E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.54716E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.12105E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2133128 0.3814977 0.9982554 c 1.32D-01 ED = -23.782093; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0068690 270.3127598** 5.35D-01 < 2s|9s1>= 4.6D-03 < 1s|9s1>=-1.5D-03 9s1 0.0300495 -1.1514487 0.9947595** 1.01D-02 9d1 0.0294520 0.1832094 0.9979114** 9.02D-03 <2ph|9p2>=-1.3D-01 9p2 0.1550819 -0.0084573 1.0211756** 5.88D-02 < 2s|9s2>= 2.3D-01 <3sh|9s2>=-6.8D-02 < 1s|9s2>=-1.2D-01 9s2 0.1632289 1.4601986 1.0220493** 1.17D-01 <3dh|9d2>= 1.2D-02 9d2 0.1678295 0.2282140 0.9999086** 7.47D-03 <2ph|9p3>=-1.4D-01 9p3 0.1590076 -0.4682344 1.0085503** 6.02D-02 9f1 0.1396427 -0.0336323 1.0059439** 7.10D-03 < 2s|9s1>= 6.6D-09 < 1s|9s1>= 4.9D-09 < 2s|9s2>= 1.7D-07 <3sh|9s2>= 3.5D-08 < 1s|9s2>= 1.3D-07 1 -0.036551 2 -0.184236 3 0.203906 4 0.059991 5 0.053273 6 0.075036 7 -0.045474 8 0.024441 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.32D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 9.28015E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.56903E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.20364E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.71510E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.61071E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.09160E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.00914E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.11738E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414757 0.3821643 1.0017473 c 1.17D-01 9p1 3.8623549 0.2759856 4.2631556** 4.12D-01 < 2s|9s1>=-3.1D-02 < 1s|9s1>= 1.5D-02 9s1 0.0275468 -1.1801842 0.9971567** 1.32D-02 9d1 0.0290485 0.1832281 1.0022105** 9.02D-03 <2ph|9p2>= 1.1D-01 9p2 0.1587824 0.0413103 0.9944784** 4.67D-02 < 2s|9s2>=-3.0D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.7D-01 9s2 0.1641909 0.9924615 1.1150619** 1.75D-01 <3dh|9d2>=-1.3D-02 9d2 0.1689161 0.2274690 1.0003287** 7.72D-03 <2ph|9p3>= 4.5D-02 9p3 0.1579713 -0.4353221 1.0021307** 1.96D-02 9f1 0.1558333 -0.0347677 0.9944657** 7.10D-03 < 2s|9s1>=-3.6D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-6.0D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.4D-07 <3dh|9d2>=-1.2D-09 1 0.031192 2 -0.186849 3 0.205053 4 0.061773 5 0.047831 6 0.075098 7 -0.045966 8 0.025125 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.17D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) = 9.15429E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.53112E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.02821E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.80767E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.03538E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.55968E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.54707E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.12104E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2133114 0.3814978 0.9982558 c 1.32D-01 ED = -23.780870; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0068690 270.2985353** 5.35D-01 < 2s|9s1>= 4.5D-03 < 1s|9s1>=-1.5D-03 9s1 0.0300495 -1.1514584 0.9947534** 1.01D-02 9d1 0.0294517 0.1832094 0.9979115** 9.02D-03 <2ph|9p2>=-1.3D-01 9p2 0.1550806 -0.0084665 1.0211955** 5.89D-02 < 2s|9s2>= 2.3D-01 <3sh|9s2>=-6.8D-02 < 1s|9s2>=-1.2D-01 9s2 0.1632277 1.4601913 1.0220622** 1.17D-01 <3dh|9d2>= 1.2D-02 9d2 0.1678290 0.2282141 0.9999079** 7.47D-03 <2ph|9p3>=-1.4D-01 9p3 0.1590064 -0.4682354 1.0085506** 6.02D-02 9f1 0.1396394 -0.0336322 1.0059442** 7.10D-03 < 2s|9s1>= 6.6D-09 < 1s|9s1>= 4.9D-09 < 2s|9s2>= 1.7D-07 <3sh|9s2>= 3.5D-08 < 1s|9s2>= 1.3D-07 1 0.036552 2 -0.184236 3 0.203906 4 0.059991 5 0.053273 6 0.075036 7 -0.045474 8 0.024441 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.32D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 9.28015E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.56903E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.20364E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.71509E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.61066E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.09159E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.00918E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.11738E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414757 0.3821643 1.0017472 c 1.17D-01 9p1 3.8623299 -0.2759848 4.2631496** 4.12D-01 < 2s|9s1>=-3.1D-02 < 1s|9s1>= 1.5D-02 9s1 0.0275467 -1.1801838 0.9971573** 1.32D-02 9d1 0.0290484 0.1832281 1.0022105** 9.02D-03 <2ph|9p2>= 1.1D-01 9p2 0.1587824 0.0413090 0.9944752** 4.67D-02 < 2s|9s2>=-3.0D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.7D-01 9s2 0.1641909 0.9924529 1.1150638** 1.75D-01 <3dh|9d2>=-1.3D-02 9d2 0.1689161 0.2274690 1.0003292** 7.72D-03 <2ph|9p3>= 4.5D-02 9p3 0.1579712 -0.4353234 1.0021302** 1.96D-02 9f1 0.1558330 -0.0347677 0.9944653** 7.10D-03 < 2s|9s1>=-3.6D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-6.0D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.4D-07 <3dh|9d2>=-1.2D-09 1 -0.031192 2 -0.186849 3 0.205053 4 0.061773 5 0.047831 6 0.075098 7 -0.045966 8 0.025125 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.17D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) = 9.15429E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.53112E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.02821E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.80767E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.03538E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.55968E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.54706E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.12104E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2133113 0.3814978 0.9982558 c 1.32D-01 ED = -23.780801; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0068690 270.2977392** 5.35D-01 < 2s|9s1>= 4.5D-03 < 1s|9s1>=-1.5D-03 9s1 0.0300495 -1.1514587 0.9947531** 1.01D-02 9d1 0.0294517 0.1832094 0.9979115** 9.02D-03 <2ph|9p2>=-1.3D-01 9p2 0.1550805 -0.0084663 1.0211955** 5.89D-02 < 2s|9s2>= 2.3D-01 <3sh|9s2>=-6.8D-02 < 1s|9s2>=-1.2D-01 9s2 0.1632276 1.4601916 1.0220630** 1.17D-01 <3dh|9d2>= 1.2D-02 9d2 0.1678290 0.2282141 0.9999078** 7.47D-03 <2ph|9p3>=-1.4D-01 9p3 0.1590063 -0.4682353 1.0085506** 6.02D-02 9f1 0.1396392 -0.0336322 1.0059442** 7.10D-03 < 2s|9s1>= 6.6D-09 < 1s|9s1>= 4.9D-09 < 2s|9s2>= 1.7D-07 <3sh|9s2>= 3.5D-08 < 1s|9s2>= 1.3D-07 1 -0.036552 2 -0.184236 3 0.203906 4 0.059991 5 0.053273 6 0.075036 7 -0.045474 8 0.024441 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.32D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 9.28015E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.56903E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.20363E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.71509E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.61066E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.09159E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.00918E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.11738E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414757 0.3821643 1.0017472 c 1.17D-01 9p1 3.8623306 0.2759849 4.2631496** 4.12D-01 < 2s|9s1>=-3.1D-02 < 1s|9s1>= 1.5D-02 9s1 0.0275467 -1.1801838 0.9971573** 1.32D-02 9d1 0.0290484 0.1832281 1.0022105** 9.02D-03 <2ph|9p2>= 1.1D-01 9p2 0.1587824 0.0413089 0.9944751** 4.67D-02 < 2s|9s2>=-3.0D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.7D-01 9s2 0.1641909 0.9924526 1.1150638** 1.75D-01 <3dh|9d2>=-1.3D-02 9d2 0.1689161 0.2274690 1.0003292** 7.72D-03 <2ph|9p3>= 4.5D-02 9p3 0.1579712 -0.4353235 1.0021301** 1.96D-02 9f1 0.1558330 -0.0347677 0.9944653** 7.10D-03 < 2s|9s1>=-3.6D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-6.0D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.4D-07 <3dh|9d2>=-1.2D-09 1 0.031192 2 -0.186849 3 0.205053 4 0.061773 5 0.047831 6 0.075098 7 -0.045966 8 0.025125 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.17D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) = 9.15429E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.53112E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.02821E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.80767E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.03538E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.55968E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.54706E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.12104E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2133113 0.3814978 0.9982558 c 1.32D-01 ED = -23.780803; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0068690 270.2977527** 5.35D-01 < 2s|9s1>= 4.5D-03 < 1s|9s1>=-1.5D-03 9s1 0.0300495 -1.1514587 0.9947531** 1.01D-02 9d1 0.0294517 0.1832094 0.9979115** 9.02D-03 <2ph|9p2>=-1.3D-01 9p2 0.1550805 -0.0084663 1.0211955** 5.89D-02 < 2s|9s2>= 2.3D-01 <3sh|9s2>=-6.8D-02 < 1s|9s2>=-1.2D-01 9s2 0.1632276 1.4601917 1.0220630** 1.17D-01 <3dh|9d2>= 1.2D-02 9d2 0.1678290 0.2282141 0.9999078** 7.47D-03 <2ph|9p3>=-1.4D-01 9p3 0.1590063 -0.4682353 1.0085506** 6.02D-02 9f1 0.1396393 -0.0336322 1.0059442** 7.10D-03 < 2s|9s1>= 6.6D-09 < 1s|9s1>= 4.9D-09 < 2s|9s2>= 1.7D-07 <3sh|9s2>= 3.5D-08 < 1s|9s2>= 1.3D-07 1 0.036552 2 -0.184236 3 0.203906 4 0.059991 5 0.053273 6 0.075036 7 -0.045474 8 0.024441 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.32D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 9.28015E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.56903E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.20363E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.71509E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.61066E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.09159E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.00918E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.11738E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414757 0.3821643 1.0017472 c 1.17D-01 9p1 3.8623306 -0.2759849 4.2631496** 4.12D-01 < 2s|9s1>=-3.1D-02 < 1s|9s1>= 1.5D-02 9s1 0.0275467 -1.1801838 0.9971573** 1.32D-02 9d1 0.0290484 0.1832281 1.0022105** 9.02D-03 <2ph|9p2>= 1.1D-01 9p2 0.1587824 0.0413088 0.9944751** 4.67D-02 < 2s|9s2>=-3.0D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.7D-01 9s2 0.1641909 0.9924526 1.1150638** 1.75D-01 <3dh|9d2>=-1.3D-02 9d2 0.1689161 0.2274690 1.0003292** 7.72D-03 <2ph|9p3>= 4.5D-02 9p3 0.1579712 -0.4353235 1.0021301** 1.96D-02 9f1 0.1558330 -0.0347677 0.9944653** 7.10D-03 < 2s|9s1>=-3.6D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-6.0D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.4D-07 <3dh|9d2>=-1.2D-09 1 -0.031192 2 -0.186849 3 0.205053 4 0.061773 5 0.047831 6 0.075098 7 -0.045966 8 0.025125 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.17D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) = 9.15429E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.53112E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.02821E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.80767E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.03538E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.55968E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.54706E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.12104E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2133113 0.3814978 0.9982558 c 1.32D-01 ED = -23.780803; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0068690 270.2977532** 5.35D-01 < 2s|9s1>= 4.5D-03 < 1s|9s1>=-1.5D-03 9s1 0.0300495 -1.1514587 0.9947531** 1.01D-02 9d1 0.0294517 0.1832094 0.9979115** 9.02D-03 <2ph|9p2>=-1.3D-01 9p2 0.1550805 -0.0084663 1.0211955** 5.89D-02 < 2s|9s2>= 2.3D-01 <3sh|9s2>=-6.8D-02 < 1s|9s2>=-1.2D-01 9s2 0.1632276 1.4601917 1.0220630** 1.17D-01 <3dh|9d2>= 1.2D-02 9d2 0.1678290 0.2282141 0.9999078** 7.47D-03 <2ph|9p3>=-1.4D-01 9p3 0.1590063 -0.4682353 1.0085506** 6.02D-02 9f1 0.1396393 -0.0336322 1.0059442** 7.10D-03 < 2s|9s1>= 6.6D-09 < 1s|9s1>= 4.9D-09 < 2s|9s2>= 1.7D-07 <3sh|9s2>= 3.5D-08 < 1s|9s2>= 1.3D-07 1 -0.036552 2 -0.184236 3 0.203906 4 0.059991 5 0.053273 6 0.075036 7 -0.045474 8 0.024441 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.32D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 9.28015E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.56903E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.20363E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.71509E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.61066E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.09159E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.00918E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.11738E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414757 0.3821643 1.0017472 c 1.17D-01 9p1 3.8623306 0.2759849 4.2631496** 4.12D-01 < 2s|9s1>=-3.1D-02 < 1s|9s1>= 1.5D-02 9s1 0.0275467 -1.1801838 0.9971573** 1.32D-02 9d1 0.0290484 0.1832281 1.0022105** 9.02D-03 <2ph|9p2>= 1.1D-01 9p2 0.1587824 0.0413088 0.9944751** 4.67D-02 < 2s|9s2>=-3.0D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.7D-01 9s2 0.1641909 0.9924526 1.1150638** 1.75D-01 <3dh|9d2>=-1.3D-02 9d2 0.1689161 0.2274690 1.0003292** 7.72D-03 <2ph|9p3>= 4.5D-02 9p3 0.1579712 -0.4353235 1.0021301** 1.96D-02 9f1 0.1558330 -0.0347677 0.9944653** 7.10D-03 < 2s|9s1>=-3.6D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-6.0D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.4D-07 <3dh|9d2>=-1.2D-09 1 0.031192 2 -0.186849 3 0.205053 4 0.061773 5 0.047831 6 0.075098 7 -0.045966 8 0.025125 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.17D-01 *** CALCULATIONS FOR k^2 = 0.7000 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 0.029847 2 -0.180744 3 0.201747 4 0.059866 5 0.047035 6 0.074184 7 -0.045098 8 0.024902 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 9.39885E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.62082E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.13437E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.82893E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.10994E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.66290E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.84766E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.16328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 108points in CSOLVE. End of range: 18.868615759265 au. kpc 0.2121522 0.3746837 0.9804255 c 1.38D-01 ED = -24.766754; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0067990 252.7805848** 5.28D-01 < 2s|9s1>=-3.1D-01 < 1s|9s1>=-3.2D-02 9s1 0.0674053 -1.6948552 0.9446557** 1.88D-01 9d1 0.0694703 0.1812454 1.0019450** 3.46D-02 <2ph|9p2>= 2.2D-01 9p2 0.1900303 0.0524391 1.0327052** 1.11D-01 < 2s|9s2>= 7.4D-01 <3sh|9s2>=-1.5D-02 < 1s|9s2>=-7.1D-02 9s2 0.1935500 2.0614988 1.2718576** 3.53D-01 <3dh|9d2>= 4.6D-02 9d2 0.2011972 0.2252638 1.0070426** 1.87D-02 <2ph|9p3>=-2.5D-01 9p3 0.1876749 -0.4733493 1.0551196** 1.33D-01 9f1 0.1679482 -0.0339061 1.0114259** 5.12D-02 < 2s|9s1>=-3.8D-07 < 1s|9s1>=-2.9D-07 < 2s|9s2>= 5.1D-07 <3sh|9s2>= 1.0D-07 < 1s|9s2>= 3.8D-07 1 0.088893 2 -0.178559 3 0.204650 4 0.059039 5 0.057891 6 0.074906 7 -0.046168 8 0.024166 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.38D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 9.47410E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.72090E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.78680E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.66210E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.11135E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.96459E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.24965E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.67290E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2420746 0.3743972 0.9992356 c 1.24D-01 9p1 1.6412295 -0.1765647 3.4729165** 4.06D-01 < 2s|9s1>= 2.6D-02 < 1s|9s1>=-2.5D-02 9s1 0.0395932 -1.1575817 1.0490071** 6.20D-02 9d1 0.0414446 0.1805190 1.0043255** 1.33D-02 <2ph|9p2>=-5.8D-01 9p2 0.1622882 -0.0870734 1.2755558** 3.39D-01 < 2s|9s2>=-5.3D-01 <3sh|9s2>= 4.0D-04 < 1s|9s2>= 3.2D-01 9s2 0.1800535 0.6152612 1.4177958** 3.63D-01 <3dh|9d2>=-5.9D-02 9d2 0.1839345 0.2240842 0.9991954** 2.65D-02 <2ph|9p3>= 7.0D-02 9p3 0.1691125 -0.4245766 0.9981624** 3.86D-02 9f1 0.1517178 -0.0351106 0.9979816** 8.29D-03 < 2s|9s1>= 1.6D-08 < 1s|9s1>= 1.2D-08 < 2s|9s2>=-2.2D-06 <3sh|9s2>=-4.4D-07 < 1s|9s2>=-1.6D-06 1 -0.047983 2 -0.188431 3 0.206223 4 0.063688 5 0.046000 6 0.074290 7 -0.046767 8 0.025628 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.24D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) = 9.10667E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.57394E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.76985E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.87951E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.23021E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.99661E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.59224E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.84250E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1952389 0.3725540 0.9950766 c 2.40D-01 ED = -15.754208; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073972 155.6780962** 5.46D-01 < 2s|9s1>= 4.0D-03 < 1s|9s1>= 1.8D-02 9s1 0.0449761 -1.1307291 0.9899922** 1.87D-02 9d1 0.0456243 0.1798372 0.9979279** 1.69D-02 <2ph|9p2>= 1.8D-01 9p2 0.1685094 0.0545230 1.0023893** 8.21D-02 < 2s|9s2>= 2.6D-01 <3sh|9s2>=-4.4D-02 < 1s|9s2>=-1.6D-01 9s2 0.1802176 1.4275162 1.0633843** 1.56D-01 <3dh|9d2>= 2.3D-02 9d2 0.1879418 0.2256763 1.0019584** 1.28D-02 <2ph|9p3>=-2.4D-01 9p3 0.1697472 -0.4749258 1.0280800** 1.07D-01 9f1 0.1351151 -0.0329095 1.0103023** 1.37D-02 < 2s|9s1>= 3.4D-08 < 1s|9s1>= 2.5D-08 < 2s|9s2>= 1.6D-07 <3sh|9s2>= 3.3D-08 < 1s|9s2>= 1.2D-07 1 -0.071454 2 -0.183824 3 0.204618 4 0.059366 5 0.055716 6 0.074485 7 -0.045789 8 0.024429 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.40D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 9.27116E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.63678E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.91959E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.70288E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.36024E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.11250E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.63250E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.01328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2413294 0.3734928 1.0025201 c 1.91D-01 9p1 2.0694811 0.1997655 3.6443824** 4.05D-01 < 2s|9s1>=-3.5D-02 < 1s|9s1>= 2.1D-03 9s1 0.0410172 -1.2224217 0.9950141** 1.90D-02 9d1 0.0437654 0.1804364 1.0022571** 1.56D-02 <2ph|9p2>=-9.1D-02 9p2 0.1674773 0.0087458 1.0044946** 4.71D-02 < 2s|9s2>=-4.5D-01 <3sh|9s2>= 8.2D-03 < 1s|9s2>= 2.6D-01 9s2 0.1794131 0.7569005 1.2754576** 2.88D-01 <3dh|9d2>=-2.9D-02 9d2 0.1859296 0.2248941 0.9992607** 1.30D-02 <2ph|9p3>= 6.3D-02 9p3 0.1668589 -0.4276892 1.0032601** 2.94D-02 9f1 0.1554555 -0.0348835 0.9911706** 1.18D-02 < 2s|9s1>=-6.0D-08 < 1s|9s1>=-4.4D-08 < 2s|9s2>=-1.4D-06 <3sh|9s2>=-2.8D-07 < 1s|9s2>=-1.0D-06 1 0.043494 2 -0.187032 3 0.206024 4 0.062758 5 0.046587 6 0.074371 7 -0.046517 8 0.025490 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.91D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) = 9.14206E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.59117E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.71391E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.85237E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.23081E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.91181E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.75512E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.01350E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1988079 0.3727002 0.9978777 c 2.14D-01 ED = -17.364463; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0072555 172.1841045** 5.44D-01 < 2s|9s1>= 2.2D-03 < 1s|9s1>= 2.4D-03 9s1 0.0469788 -1.1578894 0.9949862** 8.35D-03 9d1 0.0477661 0.1798927 0.9979842** 1.53D-02 <2ph|9p2>= 1.6D-02 9p2 0.1706403 0.0224385 1.0041698** 1.44D-02 < 2s|9s2>= 2.5D-01 <3sh|9s2>=-6.5D-02 < 1s|9s2>=-1.3D-01 9s2 0.1823856 1.4639485 1.0470390** 1.36D-01 <3dh|9d2>= 1.9D-02 9d2 0.1890026 0.2254845 1.0019786** 1.06D-02 <2ph|9p3>=-2.2D-01 9p3 0.1741360 -0.4718073 1.0234343** 9.74D-02 9f1 0.1433119 -0.0331137 1.0081601** 9.97D-03 < 2s|9s1>= 7.7D-09 < 1s|9s1>= 5.7D-09 <2ph|9p2>=-1.4D-10 < 2s|9s2>= 1.9D-07 <3sh|9s2>= 3.8D-08 < 1s|9s2>= 1.4D-07 1 0.074397 2 -0.183715 3 0.204678 4 0.059422 5 0.055935 6 0.074532 7 -0.045829 8 0.024384 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.14D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 9.28074E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.64075E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.93395E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.70309E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.27392E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.10120E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.67243E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.01637E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414411 0.3734898 1.0021186 c 1.77D-01 9p1 1.9821219 -0.1955712 3.6154503** 4.05D-01 < 2s|9s1>=-2.7D-02 < 1s|9s1>= 5.0D-03 9s1 0.0402775 -1.2050741 0.9986615** 1.31D-02 9d1 0.0429075 0.1804198 1.0025377** 1.57D-02 <2ph|9p2>=-1.0D-01 9p2 0.1665389 0.0067532 1.0046503** 5.27D-02 < 2s|9s2>=-4.7D-01 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 2.7D-01 9s2 0.1790895 0.7337115 1.2944081** 2.96D-01 <3dh|9d2>=-3.2D-02 9d2 0.1853220 0.2248479 0.9989989** 1.33D-02 <2ph|9p3>= 7.0D-02 9p3 0.1659686 -0.4261134 1.0036297** 3.32D-02 9f1 0.1539851 -0.0349032 0.9926690** 9.94D-03 < 2s|9s1>=-4.3D-08 < 1s|9s1>=-3.2D-08 < 2s|9s2>=-1.5D-06 <3sh|9s2>=-3.0D-07 < 1s|9s2>=-1.1D-06 1 -0.044095 2 -0.187264 3 0.206049 4 0.062806 5 0.046489 6 0.074351 7 -0.046544 8 0.025518 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.77D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) = 9.13364E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.58767E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.71738E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.85634E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.23343E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.92463E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.72267E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.00934E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1983014 0.3726654 0.9977927 c 2.18D-01 ED = -17.127517; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0072716 169.7664172** 5.45D-01 < 2s|9s1>= 8.4D-04 < 1s|9s1>= 4.1D-03 9s1 0.0468051 -1.1575132 0.9933645** 8.23D-03 9d1 0.0475955 0.1798911 0.9978478** 1.58D-02 <2ph|9p2>= 3.5D-02 9p2 0.1703211 0.0262677 1.0037828** 2.26D-02 < 2s|9s2>= 2.6D-01 <3sh|9s2>=-6.6D-02 < 1s|9s2>=-1.3D-01 9s2 0.1820797 1.4603814 1.0500978** 1.39D-01 <3dh|9d2>= 2.1D-02 9d2 0.1889075 0.2255241 1.0019995** 1.10D-02 <2ph|9p3>=-2.2D-01 9p3 0.1734625 -0.4727607 1.0252791** 1.01D-01 9f1 0.1418960 -0.0330792 1.0083503** 1.02D-02 < 2s|9s1>= 7.5D-09 < 1s|9s1>= 5.6D-09 < 2s|9s2>= 1.9D-07 <3sh|9s2>= 3.8D-08 < 1s|9s2>= 1.4D-07 1 -0.074082 2 -0.183703 3 0.204667 4 0.059423 5 0.055920 6 0.074521 7 -0.045824 8 0.024390 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.18D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 9.28018E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.64055E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.93094E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.70266E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.28060E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.10149E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.67388E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.01562E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414315 0.3734917 1.0022173 c 1.79D-01 9p1 1.9913506 0.1960140 3.6182077** 4.05D-01 < 2s|9s1>=-2.8D-02 < 1s|9s1>= 4.4D-03 9s1 0.0403737 -1.2075840 0.9983732** 1.36D-02 9d1 0.0430298 0.1804235 1.0025074** 1.57D-02 <2ph|9p2>=-1.0D-01 9p2 0.1666526 0.0064234 1.0048757** 5.34D-02 < 2s|9s2>=-4.7D-01 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 2.7D-01 9s2 0.1791486 0.7363984 1.2923564** 2.95D-01 <3dh|9d2>=-3.2D-02 9d2 0.1854262 0.2248519 0.9990801** 1.34D-02 <2ph|9p3>= 6.9D-02 9p3 0.1661112 -0.4263279 1.0035634** 3.26D-02 9f1 0.1541818 -0.0349018 0.9924298** 1.02D-02 < 2s|9s1>=-4.5D-08 < 1s|9s1>=-3.4D-08 < 2s|9s2>=-1.5D-06 <3sh|9s2>=-3.0D-07 < 1s|9s2>=-1.1D-06 1 0.044036 2 -0.187238 3 0.206046 4 0.062802 5 0.046498 6 0.074353 7 -0.046541 8 0.025515 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.79D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) = 9.13461E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.58808E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.71722E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.85599E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.23319E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.92346E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.72602E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.00971E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1983508 0.3726692 0.9977978 c 2.17D-01 ED = -17.150363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0072700 169.9990333** 5.45D-01 < 2s|9s1>= 1.1D-03 < 1s|9s1>= 3.9D-03 9s1 0.0468191 -1.1573991 0.9935802** 8.22D-03 9d1 0.0476088 0.1798909 0.9978697** 1.57D-02 <2ph|9p2>= 3.3D-02 9p2 0.1703532 0.0258771 1.0037886** 2.17D-02 < 2s|9s2>= 2.6D-01 <3sh|9s2>=-6.6D-02 < 1s|9s2>=-1.3D-01 9s2 0.1821120 1.4607154 1.0498073** 1.39D-01 <3dh|9d2>= 2.0D-02 9d2 0.1889179 0.2255199 1.0019987** 1.10D-02 <2ph|9p3>=-2.2D-01 9p3 0.1735375 -0.4726370 1.0250189** 1.01D-01 9f1 0.1420501 -0.0330829 1.0083371** 1.02D-02 < 2s|9s1>= 7.7D-09 < 1s|9s1>= 5.7D-09 <2ph|9p2>=-1.0D-10 < 2s|9s2>= 1.9D-07 <3sh|9s2>= 3.8D-08 < 1s|9s2>= 1.4D-07 1 0.074113 2 -0.183706 3 0.204668 4 0.059423 5 0.055921 6 0.074522 7 -0.045825 8 0.024389 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.17D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 9.28020E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.64055E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.93131E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.70272E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.27993E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.10148E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.67348E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.01570E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414323 0.3734912 1.0022059 c 1.78D-01 9p1 1.9904449 -0.1959710 3.6179510** 4.05D-01 < 2s|9s1>=-2.8D-02 < 1s|9s1>= 4.4D-03 9s1 0.0403632 -1.2073155 0.9983921** 1.35D-02 9d1 0.0430164 0.1804230 1.0025103** 1.57D-02 <2ph|9p2>=-1.0D-01 9p2 0.1666412 0.0064946 1.0048218** 5.32D-02 < 2s|9s2>=-4.7D-01 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 2.7D-01 9s2 0.1791416 0.7361206 1.2925530** 2.95D-01 <3dh|9d2>=-3.2D-02 9d2 0.1854147 0.2248517 0.9990715** 1.34D-02 <2ph|9p3>= 6.9D-02 9p3 0.1660941 -0.4263064 1.0035700** 3.27D-02 9f1 0.1541603 -0.0349019 0.9924555** 1.02D-02 < 2s|9s1>=-4.5D-08 < 1s|9s1>=-3.4D-08 < 2s|9s2>=-1.5D-06 <3sh|9s2>=-3.0D-07 < 1s|9s2>=-1.1D-06 1 -0.044042 2 -0.187240 3 0.206047 4 0.062802 5 0.046497 6 0.074353 7 -0.046541 8 0.025515 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.78D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) = 9.13452E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.58804E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.71722E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.85602E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.23322E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.92357E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.72570E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.00968E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1983462 0.3726688 0.9977979 c 2.17D-01 ED = -17.148270; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0072702 169.9777530** 5.45D-01 < 2s|9s1>= 1.0D-03 < 1s|9s1>= 3.9D-03 9s1 0.0468182 -1.1574219 0.9935571** 8.22D-03 9d1 0.0476080 0.1798909 0.9978672** 1.57D-02 <2ph|9p2>= 3.3D-02 9p2 0.1703502 0.0259112 1.0037910** 2.18D-02 < 2s|9s2>= 2.6D-01 <3sh|9s2>=-6.6D-02 < 1s|9s2>=-1.3D-01 9s2 0.1821091 1.4606903 1.0498349** 1.39D-01 <3dh|9d2>= 2.0D-02 9d2 0.1889171 0.2255204 1.0019987** 1.10D-02 <2ph|9p3>=-2.2D-01 9p3 0.1735303 -0.4726500 1.0250467** 1.01D-01 9f1 0.1420352 -0.0330825 1.0083380** 1.02D-02 < 2s|9s1>= 7.7D-09 < 1s|9s1>= 5.7D-09 <2ph|9p2>=-1.0D-10 < 2s|9s2>= 1.9D-07 <3sh|9s2>= 3.8D-08 < 1s|9s2>= 1.4D-07 1 -0.074110 2 -0.183706 3 0.204668 4 0.059423 5 0.055921 6 0.074522 7 -0.045825 8 0.024389 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.17D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 9.28020E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.64055E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.93127E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.70271E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.27999E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.10148E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.67354E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.01569E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414323 0.3734913 1.0022071 c 1.78D-01 9p1 1.9905220 0.1959746 3.6179713** 4.05D-01 < 2s|9s1>=-2.8D-02 < 1s|9s1>= 4.4D-03 9s1 0.0403642 -1.2073405 0.9983912** 1.35D-02 9d1 0.0430177 0.1804231 1.0025101** 1.57D-02 <2ph|9p2>=-1.0D-01 9p2 0.1666422 0.0064856 1.0048283** 5.32D-02 < 2s|9s2>=-4.7D-01 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 2.7D-01 9s2 0.1791423 0.7361448 1.2925367** 2.95D-01 <3dh|9d2>=-3.2D-02 9d2 0.1854158 0.2248517 0.9990723** 1.34D-02 <2ph|9p3>= 6.9D-02 9p3 0.1660958 -0.4263083 1.0035694** 3.27D-02 9f1 0.1541623 -0.0349019 0.9924531** 1.02D-02 < 2s|9s1>=-4.5D-08 < 1s|9s1>=-3.4D-08 < 2s|9s2>=-1.5D-06 <3sh|9s2>=-3.0D-07 < 1s|9s2>=-1.1D-06 1 0.044041 2 -0.187240 3 0.206047 4 0.062802 5 0.046497 6 0.074353 7 -0.046541 8 0.025515 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.78D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) = 9.13452E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.58804E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.71722E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.85601E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.23321E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.92356E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.72573E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.00968E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1983466 0.3726688 0.9977979 c 2.17D-01 ED = -17.148437; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0072701 169.9794470** 5.45D-01 < 2s|9s1>= 1.0D-03 < 1s|9s1>= 3.9D-03 9s1 0.0468182 -1.1574192 0.9935592** 8.22D-03 9d1 0.0476080 0.1798909 0.9978674** 1.57D-02 <2ph|9p2>= 3.3D-02 9p2 0.1703505 0.0259086 1.0037906** 2.18D-02 < 2s|9s2>= 2.6D-01 <3sh|9s2>=-6.6D-02 < 1s|9s2>=-1.3D-01 9s2 0.1821093 1.4606920 1.0498327** 1.39D-01 <3dh|9d2>= 2.0D-02 9d2 0.1889171 0.2255203 1.0019987** 1.10D-02 <2ph|9p3>=-2.2D-01 9p3 0.1735309 -0.4726488 1.0250441** 1.01D-01 9f1 0.1420364 -0.0330826 1.0083380** 1.02D-02 < 2s|9s1>= 7.7D-09 < 1s|9s1>= 5.7D-09 <2ph|9p2>=-1.0D-10 < 2s|9s2>= 1.9D-07 <3sh|9s2>= 3.8D-08 < 1s|9s2>= 1.4D-07 1 0.074110 2 -0.183706 3 0.204668 4 0.059423 5 0.055921 6 0.074522 7 -0.045825 8 0.024389 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.17D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 9.28020E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.64055E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.93128E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.70271E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.27998E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.10148E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.67353E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.01569E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414323 0.3734913 1.0022070 c 1.78D-01 9p1 1.9905162 -0.1959743 3.6179699** 4.05D-01 < 2s|9s1>=-2.8D-02 < 1s|9s1>= 4.4D-03 9s1 0.0403641 -1.2073384 0.9983913** 1.35D-02 9d1 0.0430176 0.1804231 1.0025101** 1.57D-02 <2ph|9p2>=-1.0D-01 9p2 0.1666421 0.0064866 1.0048276** 5.32D-02 < 2s|9s2>=-4.7D-01 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 2.7D-01 9s2 0.1791423 0.7361429 1.2925379** 2.95D-01 <3dh|9d2>=-3.2D-02 9d2 0.1854157 0.2248517 0.9990723** 1.34D-02 <2ph|9p3>= 6.9D-02 9p3 0.1660956 -0.4263081 1.0035694** 3.27D-02 9f1 0.1541621 -0.0349019 0.9924533** 1.02D-02 < 2s|9s1>=-4.5D-08 < 1s|9s1>=-3.4D-08 < 2s|9s2>=-1.5D-06 <3sh|9s2>=-3.0D-07 < 1s|9s2>=-1.1D-06 1 -0.044041 2 -0.187240 3 0.206047 4 0.062802 5 0.046497 6 0.074353 7 -0.046541 8 0.025515 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.78D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) = 9.13452E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.58804E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.71722E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.85601E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.23321E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.92356E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.72573E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.00968E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1983466 0.3726688 0.9977979 c 2.17D-01 ED = -17.148425; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0072701 169.9793292** 5.45D-01 < 2s|9s1>= 1.0D-03 < 1s|9s1>= 3.9D-03 9s1 0.0468182 -1.1574195 0.9935591** 8.22D-03 9d1 0.0476080 0.1798909 0.9978674** 1.57D-02 <2ph|9p2>= 3.3D-02 9p2 0.1703504 0.0259087 1.0037906** 2.18D-02 < 2s|9s2>= 2.6D-01 <3sh|9s2>=-6.6D-02 < 1s|9s2>=-1.3D-01 9s2 0.1821093 1.4606919 1.0498328** 1.39D-01 <3dh|9d2>= 2.0D-02 9d2 0.1889171 0.2255203 1.0019987** 1.10D-02 <2ph|9p3>=-2.2D-01 9p3 0.1735309 -0.4726489 1.0250443** 1.01D-01 9f1 0.1420363 -0.0330826 1.0083380** 1.02D-02 < 2s|9s1>= 7.7D-09 < 1s|9s1>= 5.7D-09 <2ph|9p2>=-1.0D-10 < 2s|9s2>= 1.9D-07 <3sh|9s2>= 3.8D-08 < 1s|9s2>= 1.4D-07 1 -0.074110 2 -0.183706 3 0.204668 4 0.059423 5 0.055921 6 0.074522 7 -0.045825 8 0.024389 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.17D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 9.28020E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.64055E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.93128E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.70271E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.27998E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.10148E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.67353E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.01569E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414323 0.3734913 1.0022070 c 1.78D-01 9p1 1.9905166 0.1959743 3.6179700** 4.05D-01 < 2s|9s1>=-2.8D-02 < 1s|9s1>= 4.4D-03 9s1 0.0403641 -1.2073386 0.9983913** 1.35D-02 9d1 0.0430176 0.1804231 1.0025101** 1.57D-02 <2ph|9p2>=-1.0D-01 9p2 0.1666421 0.0064865 1.0048277** 5.32D-02 < 2s|9s2>=-4.7D-01 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 2.7D-01 9s2 0.1791423 0.7361430 1.2925378** 2.95D-01 <3dh|9d2>=-3.2D-02 9d2 0.1854157 0.2248517 0.9990723** 1.34D-02 <2ph|9p3>= 6.9D-02 9p3 0.1660956 -0.4263081 1.0035694** 3.27D-02 9f1 0.1541621 -0.0349019 0.9924532** 1.02D-02 < 2s|9s1>=-4.5D-08 < 1s|9s1>=-3.4D-08 < 2s|9s2>=-1.5D-06 <3sh|9s2>=-3.0D-07 < 1s|9s2>=-1.1D-06 1 0.044041 2 -0.187240 3 0.206047 4 0.062802 5 0.046497 6 0.074353 7 -0.046541 8 0.025515 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.78D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) = 9.13452E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.58804E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.71722E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.85601E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.23321E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.92356E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.72573E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.00968E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1983466 0.3726688 0.9977979 c 2.17D-01 ED = -17.148426; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0072701 169.9793359** 5.45D-01 < 2s|9s1>= 1.0D-03 < 1s|9s1>= 3.9D-03 9s1 0.0468182 -1.1574194 0.9935591** 8.22D-03 9d1 0.0476080 0.1798909 0.9978674** 1.57D-02 <2ph|9p2>= 3.3D-02 9p2 0.1703504 0.0259087 1.0037906** 2.18D-02 < 2s|9s2>= 2.6D-01 <3sh|9s2>=-6.6D-02 < 1s|9s2>=-1.3D-01 9s2 0.1821093 1.4606919 1.0498328** 1.39D-01 <3dh|9d2>= 2.0D-02 9d2 0.1889171 0.2255203 1.0019987** 1.10D-02 <2ph|9p3>=-2.2D-01 9p3 0.1735309 -0.4726489 1.0250443** 1.01D-01 9f1 0.1420364 -0.0330826 1.0083380** 1.02D-02 < 2s|9s1>= 7.7D-09 < 1s|9s1>= 5.7D-09 <2ph|9p2>=-1.0D-10 < 2s|9s2>= 1.9D-07 <3sh|9s2>= 3.8D-08 < 1s|9s2>= 1.4D-07 1 0.074110 2 -0.183706 3 0.204668 4 0.059423 5 0.055921 6 0.074522 7 -0.045825 8 0.024389 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.17D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 9.28020E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.64055E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.93128E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.70271E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.27998E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.10148E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.67353E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.01569E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414323 0.3734913 1.0022070 c 1.78D-01 9p1 1.9905166 -0.1959743 3.6179700** 4.05D-01 < 2s|9s1>=-2.8D-02 < 1s|9s1>= 4.4D-03 9s1 0.0403641 -1.2073386 0.9983913** 1.35D-02 9d1 0.0430176 0.1804231 1.0025101** 1.57D-02 <2ph|9p2>=-1.0D-01 9p2 0.1666421 0.0064865 1.0048277** 5.32D-02 < 2s|9s2>=-4.7D-01 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 2.7D-01 9s2 0.1791423 0.7361430 1.2925378** 2.95D-01 <3dh|9d2>=-3.2D-02 9d2 0.1854157 0.2248517 0.9990723** 1.34D-02 <2ph|9p3>= 6.9D-02 9p3 0.1660956 -0.4263081 1.0035694** 3.27D-02 9f1 0.1541621 -0.0349019 0.9924533** 1.02D-02 < 2s|9s1>=-4.5D-08 < 1s|9s1>=-3.4D-08 < 2s|9s2>=-1.5D-06 <3sh|9s2>=-3.0D-07 < 1s|9s2>=-1.1D-06 1 -0.044041 2 -0.187240 3 0.206047 4 0.062802 5 0.046497 6 0.074353 7 -0.046541 8 0.025515 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.78D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) = 9.13452E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.58804E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.71722E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.85601E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.23321E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.92356E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.72573E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.00968E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1983466 0.3726688 0.9977979 c 2.17D-01 ED = -17.148426; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0072701 169.9793356** 5.45D-01 < 2s|9s1>= 1.0D-03 < 1s|9s1>= 3.9D-03 9s1 0.0468182 -1.1574194 0.9935591** 8.22D-03 9d1 0.0476080 0.1798909 0.9978674** 1.57D-02 <2ph|9p2>= 3.3D-02 9p2 0.1703504 0.0259087 1.0037906** 2.18D-02 < 2s|9s2>= 2.6D-01 <3sh|9s2>=-6.6D-02 < 1s|9s2>=-1.3D-01 9s2 0.1821093 1.4606919 1.0498328** 1.39D-01 <3dh|9d2>= 2.0D-02 9d2 0.1889171 0.2255203 1.0019987** 1.10D-02 <2ph|9p3>=-2.2D-01 9p3 0.1735309 -0.4726489 1.0250443** 1.01D-01 9f1 0.1420364 -0.0330826 1.0083380** 1.02D-02 < 2s|9s1>= 7.7D-09 < 1s|9s1>= 5.7D-09 <2ph|9p2>=-1.0D-10 < 2s|9s2>= 1.9D-07 <3sh|9s2>= 3.8D-08 < 1s|9s2>= 1.4D-07 1 -0.074110 2 -0.183706 3 0.204668 4 0.059423 5 0.055921 6 0.074522 7 -0.045825 8 0.024389 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.17D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 9.28020E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.64055E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.93128E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.70271E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.27998E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.10148E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.67353E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.01569E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2414323 0.3734913 1.0022070 c 1.78D-01 9p1 1.9905166 0.1959743 3.6179700** 4.05D-01 < 2s|9s1>=-2.8D-02 < 1s|9s1>= 4.4D-03 9s1 0.0403641 -1.2073386 0.9983913** 1.35D-02 9d1 0.0430176 0.1804231 1.0025101** 1.57D-02 <2ph|9p2>=-1.0D-01 9p2 0.1666421 0.0064865 1.0048277** 5.32D-02 < 2s|9s2>=-4.7D-01 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 2.7D-01 9s2 0.1791423 0.7361430 1.2925378** 2.95D-01 <3dh|9d2>=-3.2D-02 9d2 0.1854157 0.2248517 0.9990723** 1.34D-02 <2ph|9p3>= 6.9D-02 9p3 0.1660956 -0.4263081 1.0035694** 3.27D-02 9f1 0.1541621 -0.0349019 0.9924533** 1.02D-02 < 2s|9s1>=-4.5D-08 < 1s|9s1>=-3.4D-08 < 2s|9s2>=-1.5D-06 <3sh|9s2>=-3.0D-07 < 1s|9s2>=-1.1D-06 1 0.044041 2 -0.187240 3 0.206047 4 0.062802 5 0.046497 6 0.074353 7 -0.046541 8 0.025515 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.78D-01 *** CALCULATIONS FOR k^2 = 0.6800 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 0.042254 2 -0.181321 3 0.202754 4 0.060838 5 0.045773 6 0.073476 7 -0.045643 8 0.025278 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 9.36834E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.67688E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.83367E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.87585E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.31122E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.02696E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.05221E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.05656E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 108points in CSOLVE. End of range: 18.868615759265 au. kpc 0.1977870 0.3653025 0.9780750 c 2.21D-01 ED = -17.680614; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0079506 145.0416894** 5.45D-01 < 2s|9s1>=-2.9D-01 < 1s|9s1>=-3.2D-02 9s1 0.0839216 -1.6623531 0.9565495** 1.73D-01 9d1 0.0873476 0.1767922 1.0068224** 3.00D-02 <2ph|9p2>= 3.6D-01 9p2 0.2050588 0.0835301 1.0706794** 1.72D-01 < 2s|9s2>= 7.5D-01 <3sh|9s2>=-1.5D-02 < 1s|9s2>=-5.1D-02 9s2 0.2133218 2.0829850 1.3178382** 3.58D-01 <3dh|9d2>= 5.8D-02 9d2 0.2231650 0.2221410 1.0100269** 2.64D-02 <2ph|9p3>=-2.7D-01 9p3 0.2041648 -0.4673658 1.0609316** 1.43D-01 9f1 0.1719795 -0.0333692 1.0136087** 5.58D-02 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>= 5.2D-07 <3sh|9s2>= 1.1D-07 < 1s|9s2>= 3.9D-07 1 0.449107 2 -0.177023 3 0.205065 4 0.052133 5 0.082834 6 0.073761 7 -0.046959 8 0.022866 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.21D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 9.45110E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.81342E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.05884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.58970E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.48117E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.07671E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.41288E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-8.02456E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2801151 0.3648721 0.9988219 c 2.94D-01 9p1 0.3325507 -0.0721381 1.6600992** 3.74D-01 < 2s|9s1>=-3.8D-01 < 1s|9s1>= 1.3D-01 9s1 0.0028489 -1.4006664 1.1275260** 2.44D-01 9d1 0.0306830 0.1770166 1.0296028** 1.02D-01 <2ph|9p2>=-9.9D-01 9p2 0.0788414 -0.1833014 46.2012602** 8.53D-01 < 2s|9s2>=-7.2D-01 <3sh|9s2>=-5.3D-02 < 1s|9s2>= 4.7D-01 9s2 0.1931734 0.1674874 2.6101603** 5.87D-01 <3dh|9d2>=-1.1D-01 9d2 0.1952623 0.2276787 0.9811746** 9.88D-02 <2ph|9p3>= 5.2D-01 9p3 0.1004946 -0.2580448 1.2836975** 2.64D-01 ED = -0.003673; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0378688 1.0173649** 8.62D-02 < 2s|9s1>=-3.1D-07 < 1s|9s1>=-2.3D-07 < 2s|9s2>=-1.7D-05 <3sh|9s2>=-3.4D-06 < 1s|9s2>=-1.3D-05 1 -0.064127 2 -0.211882 3 0.209695 4 0.064818 5 0.041818 6 0.070707 7 -0.050371 8 0.028093 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.94D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) = 8.08143E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.33197E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.90508E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.04422E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.53962E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.88356E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.54230E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-4.23894E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1748528 0.3616372 0.9911342 c 6.02D-01 ED = -11.483260; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0090090 92.0416622** 5.69D-01 < 2s|9s1>= 8.2D-02 < 1s|9s1>= 4.7D-02 9s1 0.0636244 -0.9354802 0.9043415** 8.63D-02 9d1 0.0518824 0.1757868 0.9865339** 1.11D-01 <2ph|9p2>=-2.3D-02 9p2 0.1798247 0.0143361 0.9774781** 2.05D-01 < 2s|9s2>=-3.1D-01 <3sh|9s2>= 2.7D-01 < 1s|9s2>= 1.5D-02 9s2 0.1408684 0.6945311 1.4913331** 2.87D-01 <3dh|9d2>=-5.0D-02 9d2 0.1934134 0.2219062 1.0427949** 7.18D-02 <2ph|9p3>=-8.7D-01 9p3 0.1390749 -0.3923011 1.9254433** 4.63D-01 9f1 0.0366266 -0.0303724 1.0197309** 9.56D-02 < 2s|9s1>= 2.9D-07 < 1s|9s1>= 2.1D-07 < 2s|9s2>=-1.0D-06 <3sh|9s2>=-2.1D-07 < 1s|9s2>=-7.8D-07 1 -0.429105 2 -0.180891 3 0.203995 4 0.052039 5 0.081515 6 0.073162 7 -0.044228 8 0.023073 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.02D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) = 9.25467E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.73327E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.20722E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.58430E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.13827E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.08719E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.76592E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.54599E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2830210 0.3647832 1.0086993 c 3.82D-01 9p1 0.3616577 0.0761174 1.6788728** 3.71D-01 < 2s|9s1>=-3.6D-01 < 1s|9s1>= 4.1D-02 9s1 0.0094931 -1.6046926 1.0356224** 1.90D-01 9d1 0.0323678 0.1777567 1.0284561** 1.08D-01 <2ph|9p2>=-9.9D-01 9p2 0.0796238 -0.1839068 55.0067471** 8.50D-01 < 2s|9s2>=-7.2D-01 <3sh|9s2>=-5.6D-02 < 1s|9s2>= 4.7D-01 9s2 0.1883106 0.1544041 2.6192870** 5.73D-01 <3dh|9d2>=-1.3D-01 9d2 0.1947475 0.2287319 0.9815126** 1.01D-01 <2ph|9p3>= 5.9D-01 9p3 0.1023609 -0.2310515 1.3885834** 3.01D-01 9f1 0.0101544 -0.0384364 0.9898742** 8.04D-02 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.7D-07 < 2s|9s2>=-1.9D-05 <3sh|9s2>=-3.7D-06 < 1s|9s2>=-1.4D-05 1 0.063390 2 -0.201847 3 0.209121 4 0.062990 5 0.041460 6 0.070297 7 -0.049460 8 0.027715 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.82D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) = 8.54994E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.45053E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.37338E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.07352E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.50568E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.92626E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.15302E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-4.93200E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1761794 0.3612607 0.9903435 c 6.06D-01 ED = -11.654296; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0092274 93.8363936** 5.67D-01 < 2s|9s1>= 6.0D-02 < 1s|9s1>= 7.3D-02 9s1 0.0618378 -0.9352286 0.9451565** 7.31D-02 9d1 0.0578559 0.1756697 0.9870335** 1.09D-01 <2ph|9p2>= 5.3D-01 9p2 0.1886846 0.1177220 1.1479533** 2.91D-01 < 2s|9s2>=-4.0D-02 <3sh|9s2>= 3.1D-01 < 1s|9s2>=-1.2D-01 9s2 0.1623156 1.0347784 1.3169847** 1.86D-01 <3dh|9d2>=-1.2D-02 9d2 0.2028548 0.2223130 1.0443404** 6.30D-02 <2ph|9p3>=-8.5D-01 9p3 0.1532424 -0.4057034 1.7799234** 4.44D-01 9f1 0.0507100 -0.0304973 1.0264474** 8.41D-02 < 2s|9s1>= 2.8D-07 < 1s|9s1>= 2.1D-07 < 2s|9s2>=-2.4D-07 <3sh|9s2>=-4.9D-08 < 1s|9s2>=-1.8D-07 1 0.377278 2 -0.181323 3 0.204031 4 0.052851 5 0.077414 6 0.073262 7 -0.044526 8 0.023207 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.06D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 9.23078E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.72448E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.07616E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.59761E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.85861E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.22307E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 7.12636E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.55865E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2766760 0.3649681 1.0102624 c 3.63D-01 9p1 0.4138679 -0.0811259 1.8056610** 3.73D-01 < 2s|9s1>=-2.3D-01 < 1s|9s1>=-2.8D-02 9s1 0.0167009 -1.5400367 1.0344183** 1.34D-01 9d1 0.0368188 0.1782359 1.0220125** 9.29D-02 <2ph|9p2>=-9.8D-01 9p2 0.0930379 -0.1797769 8.5474928** 8.04D-01 < 2s|9s2>=-7.2D-01 <3sh|9s2>=-3.6D-02 < 1s|9s2>= 4.7D-01 9s2 0.1855233 0.1651842 2.5673343** 5.68D-01 <3dh|9d2>=-1.4D-01 9d2 0.1952894 0.2270623 0.9869778** 8.77D-02 <2ph|9p3>= 5.2D-01 9p3 0.1179455 -0.2767713 1.2392066** 2.50D-01 9f1 0.0372200 -0.0383941 0.9772020** 5.16D-02 < 2s|9s1>=-3.2D-07 < 1s|9s1>=-2.4D-07 < 2s|9s2>=-1.7D-05 <3sh|9s2>=-3.4D-06 < 1s|9s2>=-1.2D-05 <3dh|9d2>=-1.3D-10 1 -0.064318 2 -0.199557 3 0.208450 4 0.068870 5 0.041075 6 0.070650 7 -0.048888 8 0.027257 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.63D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) = 8.66296E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.48090E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.29843E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.09710E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.47684E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.98332E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.27740E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.70897E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1763921 0.3615533 0.9906436 c 5.69D-01 ED = -11.561390; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0093124 92.4644591** 5.64D-01 < 2s|9s1>= 4.3D-02 < 1s|9s1>= 7.7D-02 9s1 0.0607384 -0.9589917 0.9498172** 7.53D-02 9d1 0.0586299 0.1758431 0.9897219** 9.14D-02 <2ph|9p2>= 6.1D-01 9p2 0.1837305 0.1349621 1.1331219** 2.34D-01 < 2s|9s2>= 7.5D-02 <3sh|9s2>= 1.8D-01 < 1s|9s2>=-1.7D-01 9s2 0.1760327 1.1595716 1.2218564** 1.74D-01 <3dh|9d2>= 1.7D-02 9d2 0.2075355 0.2237643 1.0313110** 5.16D-02 <2ph|9p3>=-7.9D-01 9p3 0.1576920 -0.4280027 1.5857168** 4.15D-01 9f1 0.0646633 -0.0307246 1.0331947** 5.27D-02 < 2s|9s1>= 2.4D-07 < 1s|9s1>= 1.8D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 -0.365958 2 -0.181683 3 0.204219 4 0.053272 5 0.076259 6 0.073150 7 -0.045109 8 0.023271 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.69D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) = 9.22384E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.72117E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.03781E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.60870E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.20414E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.27147E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.74177E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.33030E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2753336 0.3649473 1.0093873 c 3.59D-01 9p1 0.4276908 0.0825029 1.8355671** 3.72D-01 < 2s|9s1>=-2.1D-01 < 1s|9s1>=-3.1D-02 9s1 0.0179511 -1.5100211 1.0326285** 1.24D-01 9d1 0.0370021 0.1782269 1.0205112** 8.83D-02 <2ph|9p2>=-9.8D-01 9p2 0.0962763 -0.1776045 6.7873088** 7.87D-01 < 2s|9s2>=-7.2D-01 <3sh|9s2>=-3.5D-02 < 1s|9s2>= 4.7D-01 9s2 0.1850864 0.1676604 2.5466678** 5.67D-01 <3dh|9d2>=-1.3D-01 9d2 0.1949655 0.2269495 0.9890280** 8.30D-02 <2ph|9p3>= 5.0D-01 9p3 0.1183478 -0.2844795 1.2099519** 2.46D-01 9f1 0.0400305 -0.0382358 0.9774821** 4.86D-02 < 2s|9s1>=-3.0D-07 < 1s|9s1>=-2.2D-07 < 2s|9s2>=-1.6D-05 <3sh|9s2>=-3.3D-06 < 1s|9s2>=-1.2D-05 <3dh|9d2>=-1.2D-10 1 0.064208 2 -0.199078 3 0.208401 4 0.068584 5 0.041183 6 0.070778 7 -0.048793 8 0.027197 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.59D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) = 8.68019E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.48688E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.30063E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.09098E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.48483E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.96274E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.27802E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.91941E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1765268 0.3616696 0.9910186 c 5.60D-01 ED = -11.595687; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0092926 92.6313084** 5.63D-01 < 2s|9s1>= 3.9D-02 < 1s|9s1>= 7.5D-02 9s1 0.0608232 -0.9702551 0.9508104** 7.35D-02 9d1 0.0590033 0.1758508 0.9901029** 8.79D-02 <2ph|9p2>= 6.0D-01 9p2 0.1832546 0.1332208 1.1279411** 2.30D-01 < 2s|9s2>= 9.1D-02 <3sh|9s2>= 1.5D-01 < 1s|9s2>=-1.7D-01 9s2 0.1782380 1.1802287 1.2083158** 1.74D-01 <3dh|9d2>= 2.1D-02 9d2 0.2079504 0.2238119 1.0295892** 5.02D-02 <2ph|9p3>=-7.8D-01 9p3 0.1589299 -0.4322699 1.5489829** 4.06D-01 9f1 0.0679900 -0.0308022 1.0322370** 4.84D-02 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.6D-07 < 2s|9s2>=-5.7D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.3D-08 1 0.368105 2 -0.181723 3 0.204264 4 0.053279 5 0.076415 6 0.073148 7 -0.045185 8 0.023264 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.60D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 9.22456E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.72156E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.04159E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.60871E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.18823E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.26692E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.73615E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.29469E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2755375 0.3649261 1.0090043 c 3.59D-01 9p1 0.4249212 -0.0822408 1.8300536** 3.72D-01 < 2s|9s1>=-2.1D-01 < 1s|9s1>=-2.7D-02 9s1 0.0175257 -1.5057605 1.0324863** 1.22D-01 9d1 0.0365032 0.1781973 1.0207148** 8.85D-02 <2ph|9p2>=-9.8D-01 9p2 0.0956139 -0.1778836 7.0152103** 7.90D-01 < 2s|9s2>=-7.2D-01 <3sh|9s2>=-3.5D-02 < 1s|9s2>= 4.7D-01 9s2 0.1849444 0.1631827 2.5564611** 5.68D-01 <3dh|9d2>=-1.3D-01 9d2 0.1945571 0.2269751 0.9890506** 8.34D-02 <2ph|9p3>= 5.0D-01 9p3 0.1173368 -0.2822196 1.2137263** 2.49D-01 9f1 0.0383533 -0.0382310 0.9782238** 4.92D-02 < 2s|9s1>=-3.0D-07 < 1s|9s1>=-2.2D-07 < 2s|9s2>=-1.7D-05 <3sh|9s2>=-3.4D-06 < 1s|9s2>=-1.3D-05 <3dh|9d2>=-1.1D-10 1 -0.064178 2 -0.199167 3 0.208409 4 0.068645 5 0.041166 6 0.070750 7 -0.048817 8 0.027218 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.59D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) = 8.67678E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.48544E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.29712E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.09179E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.48285E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.96557E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.28040E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.88454E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1765432 0.3616478 0.9910163 c 5.61D-01 ED = -11.597624; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0092964 92.6709031** 5.63D-01 < 2s|9s1>= 3.8D-02 < 1s|9s1>= 7.5D-02 9s1 0.0608521 -0.9705251 0.9500465** 7.41D-02 9d1 0.0590128 0.1758555 0.9899564** 8.86D-02 <2ph|9p2>= 6.0D-01 9p2 0.1833906 0.1335439 1.1286811** 2.30D-01 < 2s|9s2>= 8.9D-02 <3sh|9s2>= 1.6D-01 < 1s|9s2>=-1.7D-01 9s2 0.1779045 1.1782076 1.2102664** 1.74D-01 <3dh|9d2>= 2.0D-02 9d2 0.2079143 0.2238060 1.0299250** 5.05D-02 <2ph|9p3>=-7.8D-01 9p3 0.1586777 -0.4311651 1.5583660** 4.09D-01 9f1 0.0673116 -0.0307871 1.0321108** 4.93D-02 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.6D-07 < 2s|9s2>=-6.0D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.5D-08 1 -0.367775 2 -0.181694 3 0.204256 4 0.053277 5 0.076389 6 0.073149 7 -0.045169 8 0.023265 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.61D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 9.22515E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.72181E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.03996E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.60871E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.19133E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.26771E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.74092E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.30238E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2755078 0.3649337 1.0090861 c 3.59D-01 9p1 0.4253552 0.0822776 1.8308769** 3.72D-01 < 2s|9s1>=-2.1D-01 < 1s|9s1>=-2.8D-02 9s1 0.0175885 -1.5061889 1.0328894** 1.23D-01 9d1 0.0365965 0.1782036 1.0206832** 8.85D-02 <2ph|9p2>=-9.8D-01 9p2 0.0957158 -0.1778708 7.0005398** 7.89D-01 < 2s|9s2>=-7.2D-01 <3sh|9s2>=-3.5D-02 < 1s|9s2>= 4.7D-01 9s2 0.1849876 0.1640673 2.5548423** 5.68D-01 <3dh|9d2>=-1.3D-01 9d2 0.1946337 0.2269673 0.9890554** 8.34D-02 <2ph|9p3>= 5.0D-01 9p3 0.1175716 -0.2826708 1.2129674** 2.48D-01 9f1 0.0386626 -0.0382319 0.9781070** 4.92D-02 < 2s|9s1>=-3.0D-07 < 1s|9s1>=-2.2D-07 < 2s|9s2>=-1.7D-05 <3sh|9s2>=-3.4D-06 < 1s|9s2>=-1.2D-05 <3dh|9d2>=-1.1D-10 1 0.064190 2 -0.199171 3 0.208408 4 0.068639 5 0.041169 6 0.070754 7 -0.048813 8 0.027214 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.59D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) = 8.67679E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.48548E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.29875E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.09169E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.48279E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.96508E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.27932E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.88999E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1765345 0.3616497 0.9910009 c 5.61D-01 ED = -11.596131; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0092967 92.6547216** 5.63D-01 < 2s|9s1>= 3.9D-02 < 1s|9s1>= 7.5D-02 9s1 0.0608372 -0.9702609 0.9501158** 7.41D-02 9d1 0.0589978 0.1758545 0.9899854** 8.85D-02 <2ph|9p2>= 6.0D-01 9p2 0.1833694 0.1336218 1.1292287** 2.30D-01 < 2s|9s2>= 8.9D-02 <3sh|9s2>= 1.6D-01 < 1s|9s2>=-1.7D-01 9s2 0.1779169 1.1783952 1.2100845** 1.74D-01 <3dh|9d2>= 2.0D-02 9d2 0.2079081 0.2238072 1.0298785** 5.05D-02 <2ph|9p3>=-7.8D-01 9p3 0.1586832 -0.4313391 1.5569268** 4.08D-01 9f1 0.0674030 -0.0307892 1.0321325** 4.92D-02 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.6D-07 < 2s|9s2>=-6.0D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 0.367727 2 -0.181700 3 0.204257 4 0.053277 5 0.076386 6 0.073149 7 -0.045171 8 0.023265 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.61D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) = 9.22495E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.72172E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.04013E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.60872E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.19203E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.26781E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.73922E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.30163E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2755013 0.3649327 1.0090780 c 3.59D-01 9p1 0.4254113 -0.0822838 1.8310116** 3.72D-01 < 2s|9s1>=-2.1D-01 < 1s|9s1>=-2.8D-02 9s1 0.0175941 -1.5060657 1.0328216** 1.22D-01 9d1 0.0365939 0.1782033 1.0206753** 8.85D-02 <2ph|9p2>=-9.8D-01 9p2 0.0957237 -0.1778594 6.9931439** 7.89D-01 < 2s|9s2>=-7.2D-01 <3sh|9s2>=-3.5D-02 < 1s|9s2>= 4.7D-01 9s2 0.1849813 0.1640119 2.5547926** 5.68D-01 <3dh|9d2>=-1.3D-01 9d2 0.1946278 0.2269674 0.9890567** 8.33D-02 <2ph|9p3>= 5.0D-01 9p3 0.1175634 -0.2827403 1.2128104** 2.48D-01 9f1 0.0386619 -0.0382308 0.9781173** 4.92D-02 < 2s|9s1>=-3.0D-07 < 1s|9s1>=-2.2D-07 < 2s|9s2>=-1.7D-05 <3sh|9s2>=-3.4D-06 < 1s|9s2>=-1.2D-05 <3dh|9d2>=-1.1D-10 1 -0.064188 2 -0.199166 3 0.208408 4 0.068637 5 0.041169 6 0.070754 7 -0.048813 8 0.027214 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.59D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) = 8.67692E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.48553E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.29862E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.09166E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.48286E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.96500E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.27949E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.89075E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1765362 0.3616503 0.9910054 c 5.61D-01 ED = -11.596514; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0092965 92.6575006** 5.63D-01 < 2s|9s1>= 3.9D-02 < 1s|9s1>= 7.5D-02 9s1 0.0608393 -0.9703537 0.9501220** 7.41D-02 9d1 0.0590019 0.1758546 0.9899860** 8.85D-02 <2ph|9p2>= 6.0D-01 9p2 0.1833685 0.1335995 1.1291290** 2.30D-01 < 2s|9s2>= 8.9D-02 <3sh|9s2>= 1.6D-01 < 1s|9s2>=-1.7D-01 9s2 0.1779305 1.1785083 1.2100202** 1.74D-01 <3dh|9d2>= 2.0D-02 9d2 0.2079122 0.2238074 1.0298709** 5.05D-02 <2ph|9p3>=-7.8D-01 9p3 0.1586924 -0.4313561 1.5567776** 4.08D-01 9f1 0.0674191 -0.0307896 1.0321243** 4.92D-02 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.6D-07 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.367748 2 -0.181700 3 0.204257 4 0.053277 5 0.076388 6 0.073149 7 -0.045171 8 0.023265 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.61D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 9.22497E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.72173E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.04015E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.60872E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.19183E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.26776E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.73932E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.30141E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2755035 0.3649326 1.0090760 c 3.59D-01 9p1 0.4253843 0.0822812 1.8309562** 3.72D-01 < 2s|9s1>=-2.1D-01 < 1s|9s1>=-2.8D-02 9s1 0.0175904 -1.5060541 1.0328236** 1.22D-01 9d1 0.0365904 0.1782031 1.0206777** 8.85D-02 <2ph|9p2>=-9.8D-01 9p2 0.0957178 -0.1778624 6.9955095** 7.89D-01 < 2s|9s2>=-7.2D-01 <3sh|9s2>=-3.5D-02 < 1s|9s2>= 4.7D-01 9s2 0.1849809 0.1639845 2.5548692** 5.68D-01 <3dh|9d2>=-1.3D-01 9d2 0.1946255 0.2269676 0.9890564** 8.34D-02 <2ph|9p3>= 5.0D-01 9p3 0.1175560 -0.2827151 1.2128579** 2.48D-01 9f1 0.0386491 -0.0382309 0.9781217** 4.92D-02 < 2s|9s1>=-3.0D-07 < 1s|9s1>=-2.2D-07 < 2s|9s2>=-1.7D-05 <3sh|9s2>=-3.4D-06 < 1s|9s2>=-1.2D-05 <3dh|9d2>=-1.1D-10 1 0.064188 2 -0.199167 3 0.208408 4 0.068638 5 0.041169 6 0.070754 7 -0.048813 8 0.027214 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.59D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) = 8.67688E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.48551E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.29859E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.09167E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.48284E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.96503E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.27951E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.89040E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1765362 0.3616501 0.9910050 c 5.61D-01 ED = -11.596496; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0092965 92.6575754** 5.63D-01 < 2s|9s1>= 3.9D-02 < 1s|9s1>= 7.5D-02 9s1 0.0608394 -0.9703476 0.9501164** 7.41D-02 9d1 0.0590017 0.1758546 0.9899848** 8.85D-02 <2ph|9p2>= 6.0D-01 9p2 0.1833697 0.1336026 1.1291363** 2.30D-01 < 2s|9s2>= 8.9D-02 <3sh|9s2>= 1.6D-01 < 1s|9s2>=-1.7D-01 9s2 0.1779269 1.1784809 1.2100408** 1.74D-01 <3dh|9d2>= 2.0D-02 9d2 0.2079116 0.2238073 1.0298743** 5.05D-02 <2ph|9p3>=-7.8D-01 9p3 0.1586899 -0.4313461 1.5568631** 4.08D-01 9f1 0.0674124 -0.0307894 1.0321243** 4.92D-02 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.6D-07 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 0.367745 2 -0.181700 3 0.204257 4 0.053277 5 0.076387 6 0.073149 7 -0.045171 8 0.023265 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.61D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 9.22498E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.72173E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.04014E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.60872E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.19186E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.26777E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.73936E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.30149E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2755032 0.3649327 1.0090768 c 3.59D-01 9p1 0.4253889 -0.0822816 1.8309650** 3.72D-01 < 2s|9s1>=-2.1D-01 < 1s|9s1>=-2.8D-02 9s1 0.0175911 -1.5060596 1.0328264** 1.22D-01 9d1 0.0365914 0.1782032 1.0206774** 8.85D-02 <2ph|9p2>=-9.8D-01 9p2 0.0957189 -0.1778622 6.9952671** 7.89D-01 < 2s|9s2>=-7.2D-01 <3sh|9s2>=-3.5D-02 < 1s|9s2>= 4.7D-01 9s2 0.1849812 0.1639931 2.5548526** 5.68D-01 <3dh|9d2>=-1.3D-01 9d2 0.1946262 0.2269676 0.9890564** 8.34D-02 <2ph|9p3>= 5.0D-01 9p3 0.1175582 -0.2827193 1.2128508** 2.48D-01 9f1 0.0386522 -0.0382309 0.9781204** 4.92D-02 < 2s|9s1>=-3.0D-07 < 1s|9s1>=-2.2D-07 < 2s|9s2>=-1.7D-05 <3sh|9s2>=-3.4D-06 < 1s|9s2>=-1.2D-05 <3dh|9d2>=-1.1D-10 1 -0.064188 2 -0.199167 3 0.208408 4 0.068638 5 0.041169 6 0.070754 7 -0.048813 8 0.027214 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.59D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) = 8.67688E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.48551E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.29861E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.09167E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.48284E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.96503E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.27950E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.89046E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1765361 0.3616501 0.9910049 c 5.61D-01 ED = -11.596485; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0092965 92.6574456** 5.63D-01 < 2s|9s1>= 3.9D-02 < 1s|9s1>= 7.5D-02 9s1 0.0608392 -0.9703457 0.9501173** 7.41D-02 9d1 0.0590016 0.1758546 0.9899851** 8.85D-02 <2ph|9p2>= 6.0D-01 9p2 0.1833694 0.1336030 1.1291395** 2.30D-01 < 2s|9s2>= 8.9D-02 <3sh|9s2>= 1.6D-01 < 1s|9s2>=-1.7D-01 9s2 0.1779272 1.1784834 1.2100384** 1.74D-01 <3dh|9d2>= 2.0D-02 9d2 0.2079116 0.2238073 1.0298738** 5.05D-02 <2ph|9p3>=-7.8D-01 9p3 0.1586901 -0.4313479 1.5568479** 4.08D-01 9f1 0.0674134 -0.0307894 1.0321245** 4.92D-02 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.6D-07 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.367744 2 -0.181700 3 0.204257 4 0.053277 5 0.076387 6 0.073149 7 -0.045171 8 0.023265 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.61D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 9.22497E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.72173E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.04014E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.60872E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.19187E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.26777E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 6.73935E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-9.30148E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2755032 0.3649327 1.0090767 c 3.59D-01 9p1 0.4253890 0.0822816 1.8309654** 3.72D-01 < 2s|9s1>=-2.1D-01 < 1s|9s1>=-2.8D-02 9s1 0.0175911 -1.5060585 1.0328257** 1.22D-01 9d1 0.0365913 0.1782032 1.0206773** 8.85D-02 <2ph|9p2>=-9.8D-01 9p2 0.0957189 -0.1778621 6.9952255** 7.89D-01 < 2s|9s2>=-7.2D-01 <3sh|9s2>=-3.5D-02 < 1s|9s2>= 4.7D-01 9s2 0.1849812 0.1639922 2.5548532** 5.68D-01 <3dh|9d2>=-1.3D-01 9d2 0.1946261 0.2269676 0.9890564** 8.34D-02 <2ph|9p3>= 5.0D-01 9p3 0.1175580 -0.2827195 1.2128502** 2.48D-01 9f1 0.0386520 -0.0382309 0.9781205** 4.92D-02 < 2s|9s1>=-3.0D-07 < 1s|9s1>=-2.2D-07 < 2s|9s2>=-1.7D-05 <3sh|9s2>=-3.4D-06 < 1s|9s2>=-1.2D-05 <3dh|9d2>=-1.1D-10 1 0.064188 2 -0.199167 3 0.208408 4 0.068638 5 0.041169 6 0.070754 7 -0.048813 8 0.027214 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.59D-01 *** CALCULATIONS FOR k^2 = 0.6600 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 0.061539 2 -0.192177 3 0.205076 4 0.065975 5 0.040793 6 0.070079 7 -0.047835 8 0.026938 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) = 8.92201E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.58084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.43926E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.09994E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.57492E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-7.04180E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.66208E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-6.40662E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 107points in CSOLVE. End of range: 20.085536923188 au. kpc 0.1773136 0.3529631 0.9672006 c 5.54D-01 ED = -12.459388; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0029572 176.3505022** 5.45D-01 < 2s|9s1>=-1.9D-01 < 1s|9s1>= 3.7D-02 9s1 0.0966646 -1.3817903 0.9172800** 1.20D-01 9d1 0.0976942 0.1713928 1.0035248** 8.08D-02 <2ph|9p2>= 6.7D-01 9p2 0.2203136 0.1417360 1.2226468** 2.63D-01 < 2s|9s2>= 2.0D-01 <3sh|9s2>= 1.9D-01 < 1s|9s2>=-2.6D-01 9s2 0.2044271 1.2106064 1.2258774** 2.41D-01 <3dh|9d2>= 5.3D-02 9d2 0.2391654 0.2189453 1.0420858** 7.09D-02 <2ph|9p3>=-7.2D-01 9p3 0.1955095 -0.4427017 1.4268888** 3.72D-01 9f1 0.1042954 -0.0308978 1.0404212** 6.82D-02 < 2s|9s1>=-2.3D-07 < 1s|9s1>=-1.7D-07 < 2s|9s2>=-6.4D-09 <3sh|9s2>=-1.3D-09 < 1s|9s2>=-4.8D-09 1 0.986935 2 -0.168339 3 0.205295 4 0.044890 5 0.122486 6 0.071851 7 -0.052081 8 0.023467 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.54D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) = 9.55843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.92875E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 4.17363E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.53953E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.46461E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.28892E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.35234E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-7.50258E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2642142 0.3693355 1.0463854 c 3.29D-01 9p1 0.1172697 -0.0382351 1.2464649** 3.58D-01 ED = -0.005782; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.0D-01 9s1 0.0000308 -0.1554969 36.5242599** 5.23D-01 9d1 0.1365705 0.1687948 1.0691062** 1.73D-01 <2ph|9p2>= 1.0D+00 9p2 0.1108780 0.1883191 18.6003899** 7.32D-01 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 1.6D-01 < 1s|9s2>= 7.5D-01 9s2 0.3082358 1.4442499 1.9696054** 5.38D-01 <3dh|9d2>=-1.3D-01 9d2 0.4005852 0.2204175 1.0034431** 9.08D-02 <2ph|9p3>=-8.3D-01 9p3 0.1088316 -0.3597204 2.1015672** 4.95D-01 ED = -0.076847; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0411755 1.0152730** 2.03D-01 < 2s|9s1>= 4.1D-07 < 1s|9s1>= 3.1D-07 < 2s|9s2>=-5.6D-07 <3sh|9s2>=-1.1D-07 < 1s|9s2>=-4.2D-07 1 -0.063063 2 0.082844 3 0.233275 4 0.029506 5 0.055267 6 0.081274 7 -0.071610 8 0.028560 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.54D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-1.79888E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.37070E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 8.26560E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.45918E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.72116E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-5.74455E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.99924E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.47702E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1452550 0.3590528 0.9721590 c 8.19D-01 ED = -11.150146; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0006688 179.7345211** 5.71D-01 < 2s|9s1>=-5.6D-01 < 1s|9s1>= 1.8D-01 9s1 0.0848728 0.1628308 4.0079988** 4.66D-01 9d1 0.0348911 0.1607267 0.9942530** 1.88D-01 <2ph|9p2>=-7.6D-01 9p2 0.1484855 -0.0895719 5.3142306** 5.77D-01 < 2s|9s2>=-8.1D-01 <3sh|9s2>=-1.9D-01 < 1s|9s2>= 2.4D-01 9s2 0.1084161 -0.5875259 5.3060827** 6.93D-01 <3dh|9d2>= 1.8D-02 9d2 0.1515409 0.1931841 1.0980825** 8.55D-02 <2ph|9p3>=-9.1D-01 9p3 0.1374329 -0.3400132 2.3151660** 5.16D-01 9f1 0.0336389 -0.0271102 1.1306779** 2.23D-01 < 2s|9s1>=-8.0D-06 < 1s|9s1>=-6.0D-06 < 2s|9s2>= 4.6D-06 <3sh|9s2>= 9.2D-07 < 1s|9s2>= 3.4D-06 1 -1.390125 2 0.164120 3 0.208007 4 0.035961 5 0.160030 6 0.073937 7 -0.060706 8 0.024372 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.19D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-9.90047E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.98787E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 6.17273E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.47872E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.09958E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-2.87324E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.61927E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.29383E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2717581 0.3667930 1.0215572 c 4.65D-01 9p1 0.0725414 0.0373697 1.0230025** 3.63D-01 < 2s|9s1>= 6.7D-01 < 1s|9s1>=-3.1D-01 9s1 0.0040662 0.3636979 21.2771337** 6.44D-01 9d1 0.1310201 0.1533281 1.1715065** 2.84D-01 <2ph|9p2>= 1.0D+00 9p2 0.1524837 0.1855634 20.2672712** 6.69D-01 < 2s|9s2>=-4.6D-01 <3sh|9s2>= 1.4D-01 < 1s|9s2>= 7.1D-01 9s2 0.3131049 1.1952287 2.0423034** 5.32D-01 <3dh|9d2>=-1.9D-01 9d2 0.4242453 0.2139047 0.9986614** 1.52D-01 ED = -0.017784; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 8.1D-01 9p3 0.0000308 0.1134635 10.3420304** 6.85D-01 ED = -0.227219; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0322788 1.2983934** 4.79D-01 < 2s|9s1>=-2.1D-06 < 1s|9s1>=-1.5D-06 < 2s|9s2>=-1.2D-06 <3sh|9s2>=-2.4D-07 < 1s|9s2>=-8.9D-07 <3dh|9d2>= 1.0D-10 1 0.037339 2 -0.218317 3 0.229335 4 0.019235 5 0.047308 6 0.077996 7 -0.015653 8 0.018297 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 5.05D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) = 7.85332E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.35252E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.91900E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.81183E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.63072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-6.81215E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.78657E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.91344E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1677485 0.3526174 0.9613527 c 6.20D-01 ED = -17.535918; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0017237 297.8040949** 5.59D-01 < 2s|9s1>= 3.5D-01 < 1s|9s1>=-9.3D-03 9s1 0.0785776 -0.4506370 1.1492284** 4.18D-01 9d1 0.0362428 0.1646842 0.9672032** 3.01D-01 <2ph|9p2>= 7.8D-01 9p2 0.1429150 0.1837558 6.0791155** 7.12D-01 < 2s|9s2>= 4.8D-01 <3sh|9s2>=-7.0D-01 < 1s|9s2>=-3.3D-01 9s2 0.0178162 0.2021498 9.2416742** 4.97D-01 <3dh|9d2>= 4.0D-02 9d2 0.1278340 0.1965917 1.1171822** 1.13D-01 <2ph|9p3>=-9.6D-01 9p3 0.2166540 -0.3140222 10.0748599** 3.51D-01 9f1 0.2280819 -0.0344562 1.2692335** 4.43D-01 < 2s|9s1>= 1.9D-06 < 1s|9s1>= 1.4D-06 < 2s|9s2>= 3.9D-08 <3sh|9s2>= 7.8D-09 < 1s|9s2>= 2.9D-08 1 5.710881 2 -0.135447 3 0.196979 4 -0.000843 5 0.107686 6 0.071348 7 -0.052266 8 0.015095 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.20D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) = 9.75618E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.30175E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.63544E+01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.87840E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.04190E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-9.00109E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.30173E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.67822E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.4279659 0.4284517 1.2150611 c 6.08D-01 ED = -0.012210; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0086136 2.6009271** 3.93D-01 < 2s|9s1>=-7.4D-01 < 1s|9s1>= 6.7D-01 9s1 0.3324585 -0.2331241 8.1991131** 6.93D-01 9d1 0.5376348 0.1291915 1.3681557** 3.57D-01 ED = -72.926830; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>= 4.3D-02 9p2 0.0000308 -0.06537443480.2888385** 5.63D-01 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 8.2D-02 < 1s|9s2>= 5.9D-01 9s2 0.2432613 -0.0687472 39.8948340** 5.54D-01 <3dh|9d2>=-7.8D-01 9d2 1.0235118 0.1246156 1.6109792** 3.19D-01 ED = -0.677013; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 9.8D-01 9p3 0.0000308 0.2140594 102.2582841** 8.33D-01 9f1 0.2133196 -0.0077373 11.1451875** 6.93D-01 < 2s|9s1>= 2.5D-05 < 1s|9s1>= 1.8D-05 < 2s|9s2>= 6.5D-05 <3sh|9s2>= 1.3D-05 < 1s|9s2>= 4.9D-05 1 -0.740150 2 0.054789 3 0.277479 4 -0.025944 5 0.134951 6 0.101161 7 0.031999 8 -0.059436 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D+00 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-3.24779E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-1.00977E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39396E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.56800E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.78460E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.53213E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.18283E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.62117E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0612334 0.3518736 0.8212678 c 5.99D+00 ED = -0.067722; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0058067 10.7997475** 2.37D-01 ED = -0.209176; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 3.5D-01 < 1s|9s1>=-5.5D-01 9s1 0.0000308 -0.1524042 13.1980925** 6.20D-01 9d1 0.0125687 0.1418965 0.9581539** 3.52D-01 <2ph|9p2>= 1.6D-01 9p2 0.2661049 0.0284185 2.2652337** 3.91D-01 < 2s|9s2>=-9.2D-01 <3sh|9s2>= 5.4D-02 < 1s|9s2>= 1.6D-01 9s2 0.1907032 -0.8276345 6.5364605** 8.21D-01 <3dh|9d2>=-7.6D-01 9d2 0.0386225 0.0832246 2.1269007** 3.61D-01 <2ph|9p3>= 1.0D+00 9p3 0.0882673 0.2235604 35.6322234** 4.24D-01 ED = -0.139598; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0147939 0.9585655** 3.44D-01 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>= 6.1D-06 <3sh|9s2>= 1.2D-06 < 1s|9s2>= 4.5D-06 1 0.316643 2 0.146123 3 0.242837 4 -0.080354 5 0.035876 6 0.096494 7 0.050582 8 -0.035955 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.99D+00 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-9.51238E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.42306E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.02851E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.52898E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.48898E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-8.16421E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.00704E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.05858E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1674008 0.3573850 1.0156631 c 6.34D-01 ED = -0.597606; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0012369 37.6335658** 4.30D-01 < 2s|9s1>=-4.0D-01 < 1s|9s1>= 3.9D-01 9s1 0.0811483 0.7803180 2.0798225** 3.58D-01 9d1 0.0491047 0.1663721 0.9184950** 9.78D-02 <2ph|9p2>= 9.8D-01 9p2 0.1189044 0.1754408 7.6994974** 7.95D-01 < 2s|9s2>=-1.2D-01 <3sh|9s2>=-6.9D-01 < 1s|9s2>=-3.6D-02 9s2 0.0058057 -0.2736126 14.0767991** 5.81D-01 <3dh|9d2>=-1.6D-01 9d2 0.1331413 0.1966697 0.8859748** 1.88D-01 <2ph|9p3>=-7.4D-01 9p3 0.1452102 0.1176612 1.7789257** 3.60D-01 9f1 0.1169921 0.0283986 0.7909000** 2.38D-01 < 2s|9s1>=-6.2D-07 < 1s|9s1>=-4.6D-07 < 2s|9s2>= 9.4D-07 <3sh|9s2>= 1.9D-07 < 1s|9s2>= 7.0D-07 1 2.859389 2 0.145726 3 0.204217 4 -0.023964 5 0.180767 6 0.072434 7 0.075763 8 -0.025800 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.34D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-1.03160E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.13961E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.05953E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.07906E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.26224E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.57312E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.84572E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.94765E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2824923 0.3789769 1.0604162 c 4.07D-01 9p1 0.0140022 -0.0288828 0.8538229** 5.02D-01 < 2s|9s1>= 8.2D-01 < 1s|9s1>=-4.8D-01 9s1 0.0829645 0.4206037 21.4365182** 7.15D-01 9d1 0.2634061 0.0989710 1.7764215** 4.50D-01 <2ph|9p2>=-9.6D-01 9p2 0.8866181 -0.1677009 3.6214691** 5.95D-01 < 2s|9s2>=-7.0D-01 <3sh|9s2>= 7.2D-02 < 1s|9s2>= 6.6D-01 9s2 0.3070633 0.1887309 9.7162372** 5.26D-01 <3dh|9d2>=-7.2D-01 9d2 0.6996570 0.1373129 1.4731687** 2.74D-01 ED = -0.761483; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-1.0D+00 9p3 0.0000308 -0.2141215 55.2376696** 8.51D-01 ED = -1.283916; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0042809 12.7722369** 7.82D-01 < 2s|9s1>=-6.5D-06 < 1s|9s1>=-4.9D-06 < 2s|9s2>=-2.1D-05 <3sh|9s2>=-4.2D-06 < 1s|9s2>=-1.5D-05 1 0.073577 2 -0.219868 3 0.245283 4 -0.065909 5 0.030162 6 0.084131 7 -0.031238 8 0.039351 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.44D+00 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) = 9.10225E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.41514E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70446E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.65272E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.25758E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.17293E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.88381E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.39568E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2261558 0.3529647 0.9313620 c 2.49D-01 9p1 5.1198483 -0.2684185 1.7987291** 4.33D-01 < 2s|9s1>= 2.0D-01 < 1s|9s1>= 3.0D-02 9s1 0.0435924 -0.7036721 1.1736865** 2.39D-01 9d1 0.0686482 0.1685185 0.8727455** 4.52D-01 <2ph|9p2>=-7.3D-01 9p2 0.1543828 -0.1822495 1.4211081** 2.96D-01 < 2s|9s2>= 8.3D-01 <3sh|9s2>=-1.3D-01 < 1s|9s2>=-5.2D-01 9s2 0.0386355 0.4453359 28.1508926** 7.24D-01 <3dh|9d2>=-2.8D-01 9d2 0.0703979 0.1715663 1.2102712** 1.74D-01 <2ph|9p3>=-9.9D-01 9p3 0.1440112 -0.2443571 13.0026223** 5.00D-01 ED = -0.116649; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0282095 0.7484002** 5.64D-01 < 2s|9s1>= 7.6D-07 < 1s|9s1>= 5.6D-07 < 2s|9s2>=-1.2D-05 <3sh|9s2>=-2.4D-06 < 1s|9s2>=-8.6D-06 1 -0.038595 2 -0.198656 3 0.213365 4 -0.063700 5 -0.033525 6 0.080406 7 -0.039751 8 0.026710 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.49D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) = 8.52336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.58698E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.66186E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.51643E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.85239E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.52607E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 5.94205E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.98652E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1934633 0.3551894 1.0063031 c 1.69D-01 ED = -20.344966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0028040 278.0739150** 5.42D-01 < 2s|9s1>= 2.1D-02 < 1s|9s1>=-1.8D-02 9s1 0.0840140 -1.1093837 0.9982117** 3.12D-02 9d1 0.0844618 0.1698866 0.9993261** 1.37D-02 <2ph|9p2>= 1.3D-01 9p2 0.2121794 0.0079332 0.9842370** 6.98D-02 < 2s|9s2>=-2.3D-01 <3sh|9s2>= 4.8D-02 < 1s|9s2>=-1.4D-02 9s2 0.2343564 -1.6766025 1.3186582** 2.18D-01 <3dh|9d2>= 8.2D-03 9d2 0.2238438 0.2151132 0.9413773** 7.26D-02 <2ph|9p3>= 1.1D-01 9p3 0.2173991 -0.4026507 1.1561313** 2.76D-01 9f1 0.1946374 -0.0326567 0.9621646** 1.11D-01 < 2s|9s1>= 1.6D-08 < 1s|9s1>= 1.2D-08 < 2s|9s2>=-3.1D-07 <3sh|9s2>=-6.2D-08 < 1s|9s2>=-2.3D-07 1 -1.100073 2 -0.173694 3 0.207900 4 -0.043544 5 -0.129398 6 0.072880 7 -0.052727 8 0.023489 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.69D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) = 9.44084E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.88122E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.76541E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.56567E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.08961E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.24849E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.35144E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.96917E-03 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2682395 0.3692839 1.0396816 c 2.79D-01 9p1 0.1029838 0.0383697 1.1642264** 3.57D-01 ED = -0.007066; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.1D-01 9s1 0.0000308 -0.1349364 46.7704549** 5.03D-01 9d1 0.1265651 0.1649582 1.0891251** 1.91D-01 <2ph|9p2>=-1.0D+00 9p2 0.0789997 -0.1846521 494.5105582** 7.64D-01 < 2s|9s2>= 3.7D-01 <3sh|9s2>=-1.6D-01 < 1s|9s2>=-7.4D-01 9s2 0.3199317 -1.4221556 1.9806588** 5.46D-01 <3dh|9d2>=-1.6D-01 9d2 0.4051167 0.2176955 1.0028994** 1.16D-01 <2ph|9p3>=-9.8D-01 9p3 0.0560324 -0.2691624 5.7075203** 6.71D-01 ED = -0.150421; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0383394 1.0999323** 3.09D-01 < 2s|9s1>= 4.7D-07 < 1s|9s1>= 3.5D-07 < 2s|9s2>= 6.2D-07 <3sh|9s2>= 1.3D-07 < 1s|9s2>= 4.6D-07 1 0.058719 2 0.088682 3 0.234103 4 0.069488 5 -0.052691 6 0.078825 7 -0.072087 8 0.025558 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.93D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-1.72070E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.93804E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 3.48504E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.53772E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.82112E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.07661E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.05447E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.78722E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1492089 0.3568424 0.9663090 c 7.98D-01 ED = -11.765089; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001211 191.1710738** 5.68D-01 < 2s|9s1>=-5.7D-01 < 1s|9s1>= 1.5D-01 9s1 0.0838655 0.1240722 3.6955250** 4.63D-01 9d1 0.0318277 0.1609973 0.9861928** 2.26D-01 <2ph|9p2>=-6.9D-01 9p2 0.1799843 -0.0837915 1.5982710** 3.81D-01 < 2s|9s2>= 8.7D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-3.0D-01 9s2 0.1004672 0.5990193 8.4300511** 6.95D-01 <3dh|9d2>=-1.9D-01 9d2 0.1494901 0.1874983 1.1454568** 1.35D-01 <2ph|9p3>=-9.6D-01 9p3 0.1162338 -0.3024186 3.4570987** 6.03D-01 9f1 0.1248092 -0.0301605 1.0909580** 3.18D-01 < 2s|9s1>=-1.1D-05 < 1s|9s1>=-8.2D-06 < 2s|9s2>=-5.5D-06 <3sh|9s2>=-1.1D-06 < 1s|9s2>=-4.1D-06 1 1.267533 2 0.166676 3 0.208045 4 0.041045 5 -0.144472 6 0.074524 7 -0.058775 8 0.023473 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.98D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-9.74868E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95132E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.35276E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54869E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.07054E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 3.06364E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.41962E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79781E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2704491 0.3664067 1.0268027 c 4.48D-01 9p1 0.0834903 -0.0381343 1.0779396** 3.57D-01 < 2s|9s1>= 6.9D-01 < 1s|9s1>=-3.2D-01 9s1 0.0046521 0.4050875 15.8053468** 6.48D-01 9d1 0.1311011 0.1577006 1.1368711** 2.64D-01 <2ph|9p2>= 1.0D+00 9p2 0.1334748 0.1881351 23.4619588** 7.13D-01 < 2s|9s2>= 3.6D-01 <3sh|9s2>=-1.6D-01 < 1s|9s2>=-7.3D-01 9s2 0.3273069 -1.4736764 1.8676355** 5.14D-01 <3dh|9d2>=-1.2D-01 9d2 0.4213692 0.2158041 0.9836790** 1.39D-01 <2ph|9p3>=-9.9D-01 9p3 0.0379388 -0.2346454 10.3193320** 7.04D-01 ED = -0.198161; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0310264 1.3806808** 4.11D-01 < 2s|9s1>=-2.0D-06 < 1s|9s1>=-1.5D-06 < 2s|9s2>= 5.7D-07 <3sh|9s2>= 1.2D-07 < 1s|9s2>= 4.3D-07 1 -0.045229 2 -0.209388 3 0.226863 4 0.012866 5 -0.049518 6 0.077456 7 -0.065343 8 0.022164 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 4.53D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) = 8.03687E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.45677E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.79088E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.74587E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.46248E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.42660E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.06786E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.36451E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1667306 0.3526082 0.9623410 c 6.22D-01 ED = -14.782808; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0015564 248.1909289** 5.66D-01 < 2s|9s1>= 3.7D-01 < 1s|9s1>=-1.9D-03 9s1 0.0781405 -0.3965228 1.1776826** 4.19D-01 9d1 0.0316889 0.1647365 0.9761580** 2.61D-01 <2ph|9p2>= 5.5D-01 9p2 0.2312569 0.1055228 5.3645040** 6.68D-01 < 2s|9s2>=-7.3D-01 <3sh|9s2>= 4.7D-01 < 1s|9s2>= 4.5D-01 9s2 0.0364129 -0.4640376 8.1087449** 6.22D-01 <3dh|9d2>= 4.8D-02 9d2 0.1384712 0.2028321 1.0778419** 9.90D-02 <2ph|9p3>=-9.9D-01 9p3 0.0427113 -0.2177983 19.2326520** 7.08D-01 9f1 0.1840773 -0.0297914 1.2342380** 4.06D-01 < 2s|9s1>= 2.4D-06 < 1s|9s1>= 1.8D-06 < 2s|9s2>= 1.1D-06 <3sh|9s2>= 2.1D-07 < 1s|9s2>= 7.8D-07 1 -4.487200 2 -0.150391 3 0.200721 4 0.029036 5 0.111553 6 0.076018 7 0.018673 8 0.028010 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.22D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) = 9.28060E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.01778E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.16559E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.66703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-8.15057E-03 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-7.41219E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 3.72102E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-7.27004E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.3675470 0.4123113 1.1693184 c 5.46D-01 ED = -0.004427; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0117471 2.0162448** 3.74D-01 < 2s|9s1>=-8.1D-01 < 1s|9s1>= 5.7D-01 9s1 0.2359183 -0.4226441 9.0558506** 7.10D-01 9d1 0.4796624 0.1245501 1.3842291** 3.60D-01 <2ph|9p2>= 6.0D-01 9p2 1.8563985 0.1353294 1.3252719** 3.41D-01 < 2s|9s2>=-7.8D-01 <3sh|9s2>= 7.8D-02 < 1s|9s2>= 5.7D-01 9s2 0.2312887 -0.1283188 34.4975107** 4.83D-01 <3dh|9d2>=-7.5D-01 9d2 0.8339218 0.1267308 1.5517120** 2.90D-01 ED = -1.917227; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>=-9.9D-01 9p3 0.0000308 -0.2149659 254.1862417** 5.93D-01 ED = -0.981760; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 -0.0028621 18.5629911** 6.69D-01 < 2s|9s1>= 1.2D-05 < 1s|9s1>= 8.7D-06 < 2s|9s2>= 3.5D-05 <3sh|9s2>= 7.1D-06 < 1s|9s2>= 2.6D-05 1 -14.644084 2 0.869284 3 0.693026 4 0.247509 5 -1.752822 6 0.093476 7 0.294426 8 0.525219 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.68D+00 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-6.82716E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.03496E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 2.21447E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.36144E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.59536E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.52532E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.40966E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.28496E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -1.5522558 0.1085542 0.2632822 c 1.24D+00 ED = -0.034478; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0123547 0.6815139** 5.37D-01 ED = -0.100787; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>=-2.1D-01 < 1s|9s1>= 9.3D-02 9s1 0.0000308 -0.0776616 680.7598584** 5.40D-01 ED = -1.032323; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.0001993 11.8948018** 5.47D-01 ED = -0.374103; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p2>=-7.7D-02 9p2 0.0000308 -0.0619597 33.4249305** 5.66D-01 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 6.4D-02 < 1s|9s2>= 5.9D-01 9s2 0.2620899 -0.0366570 8.2193213** 7.18D-01 ED = -0.653888; ADJUSTED TO ALLOWED MINIMUM ENERGY <3dh|9d2>= 8.2D-01 9d2 0.0000308 0.0053234 130.7945454** 5.68D-01 ED = -0.286447; ADJUSTED TO ALLOWED MINIMUM ENERGY <2ph|9p3>= 1.0D+00 9p3 0.0000308 0.2185467 86.6345297** 4.89D-01 ED = -0.400918; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0003070 3.4998443** 5.24D-01 < 2s|9s1>= 6.7D-07 < 1s|9s1>= 5.0D-07 < 2s|9s2>= 1.3D-04 <3sh|9s2>= 2.6D-05 < 1s|9s2>= 9.7D-05 1 -0.231351 2 -0.002713 3 -0.139439 4 -0.002430 5 0.039857 6 -0.003918 7 0.021696 8 -0.016028 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 7.86D+00 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) = 8.44610E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 8.67109E+01 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.03081E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.51723E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.93492E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.27857E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 4.28652E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.73979E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0035070 0.3640057 3.3532152 c 4.42D+02 ED = -0.091809; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0030166 22.6936919** 3.25D-01 ED = -5.442874; ADJUSTED TO ALLOWED MINIMUM ENERGY < 2s|9s1>= 3.8D-02 < 1s|9s1>=-1.8D-01 9s1 0.0000308 -0.35950341501.3705594** 1.84D-01 ED = -0.026905; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1347544 2.3176183** 5.21D-01 <2ph|9p2>=-7.0D-01 9p2 2.8736662 0.1663923 7.8250975** 5.98D-01 < 2s|9s2>=-3.3D-01 <3sh|9s2>= 1.2D-02 < 1s|9s2>=-9.4D-01 9s2 1.1766439 -1.8366415 29.4392837** 1.18D+00 <3dh|9d2>=-2.1D-01 9d2 1.5652575 -0.2628626 10.5843636** 6.19D-01 <2ph|9p3>=-2.3D-01 9p3 1.0982818 0.2588906 1.4469781** 2.63D-01 ED = -0.339692; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0226042 3.2313127** 7.64D-01 < 2s|9s1>=-9.1D-08 < 1s|9s1>=-6.7D-08 < 2s|9s2>= 4.5D-06 <3sh|9s2>= 9.2D-07 < 1s|9s2>= 3.4D-06 1 0.299489 2 -0.124303 3 -0.261008 4 -0.061566 5 0.045074 6 -0.077758 7 0.071137 8 -0.035955 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.42D+02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) = 1.16606E+00 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.23657E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.82893E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.62201E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.24750E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-7.67196E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.55694E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-1.17927E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1346600 0.3589144 0.9860133 c 1.03D+00 ED = -0.867368; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0005999 38.6935906** 4.33D-01 < 2s|9s1>= 5.6D-01 < 1s|9s1>=-1.5D-01 9s1 0.0791523 -0.1147602 2.5831851** 4.37D-01 ED = -0.000769; ADJUSTED TO ALLOWED MINIMUM ENERGY 9d1 0.0000308 -0.1458328 1.0019046** 8.03D-02 <2ph|9p2>=-1.0D+00 9p2 0.0635385 -0.1963813 19.8066086** 7.53D-01 < 2s|9s2>= 8.4D-01 <3sh|9s2>=-1.3D-01 < 1s|9s2>=-5.1D-01 9s2 0.0479742 0.5463091 15.6246350** 7.14D-01 <3dh|9d2>= 3.7D-01 9d2 0.1429884 -0.1740674 1.2635905** 1.54D-01 <2ph|9p3>= 7.3D-01 9p3 0.0491207 0.4151661 1.4842332** 3.89D-01 ED = -0.039794; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0191069 1.2715361** 2.16D-01 < 2s|9s1>= 1.1D-05 < 1s|9s1>= 8.5D-06 < 2s|9s2>=-1.1D-05 <3sh|9s2>=-2.2D-06 < 1s|9s2>=-8.0D-06 1 1.259781 2 -0.179018 3 -0.229143 4 -0.040365 5 -0.103491 6 -0.077990 7 0.054284 8 -0.028115 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.03D+00 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) = 9.12238E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.75558E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.02582E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.13635E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.91192E-02 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.29652E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00404E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-5.49067E-02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2621226 0.3659621 1.0196362 c 4.86D-01 9p1 0.0821673 -0.0366703 1.0937958** 3.57D-01 < 2s|9s1>=-7.6D-01 < 1s|9s1>= 3.6D-01 9s1 0.0097682 -0.4744714 11.0836900** 6.63D-01 9d1 0.1355245 -0.1555083 1.0467625** 2.16D-01 <2ph|9p2>= 9.4D-01 9p2 0.0217119 0.1451949 27.5822353** 6.34D-01 < 2s|9s2>= 3.2D-01 <3sh|9s2>= 5.3D-02 < 1s|9s2>=-7.7D-01 9s2 0.3664744 -1.5448065 2.4262985** 5.87D-01 <3dh|9d2>=-1.1D-01 9d2 0.3483308 -0.2156776 0.9710909** 1.25D-01 <2ph|9p3>=-8.2D-01 9p3 0.0096734 -0.0943638 9.0650086** 6.43D-01 ED = -0.043490; ADJUSTED TO ALLOWED MINIMUM ENERGY 9f1 0.0000308 0.0276076 1.2357414** 3.06D-01 < 2s|9s1>= 2.5D-06 < 1s|9s1>= 1.9D-06 < 2s|9s2>= 5.1D-07 <3sh|9s2>= 1.0D-07 < 1s|9s2>= 3.8D-07 1 -0.043616 2 0.206178 3 -0.225924 4 -0.061639 5 -0.043683 6 -0.075389 7 0.027055 8 -0.030089 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.86D-01 *** CALCULATIONS FOR k^2 = 0.6400 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.041651 2 0.189744 3 -0.222067 4 -0.058732 5 -0.043392 6 -0.074805 7 0.026808 8 -0.029395 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-9.05075E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.70502E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.63987E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.97867E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.28138E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.32384E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.82804E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-2.26333E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 107points in CSOLVE. End of range: 20.085536923188 au. kpc 0.1695925 0.3438438 0.9395613 c 5.46D-01 ED = -15.841964; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0014920 253.7046570** 5.60D-01 < 2s|9s1>=-7.8D-02 < 1s|9s1>=-1.3D-02 9s1 0.1095145 0.9428694 1.0612846** 3.67D-01 9d1 0.0834445 -0.1632373 0.9763097** 2.52D-01 <2ph|9p2>=-8.3D-01 9p2 0.2157861 -0.1797316 1.9359045** 3.43D-01 < 2s|9s2>=-8.8D-01 <3sh|9s2>= 1.0D-01 < 1s|9s2>= 4.2D-01 9s2 0.0684499 -0.6542244 61.2872466** 7.48D-01 <3dh|9d2>= 4.0D-02 9d2 0.2005061 -0.1960301 1.1118015** 1.10D-01 <2ph|9p3>= 9.6D-01 9p3 0.1903817 0.3106338 6.3236770** 3.82D-01 9f1 0.1253516 0.0310767 0.9249061** 3.07D-01 < 2s|9s1>=-2.0D-07 < 1s|9s1>=-1.5D-07 < 2s|9s2>= 7.5D-06 <3sh|9s2>= 1.5D-06 < 1s|9s2>= 5.6D-06 1 0.317722 2 0.193877 3 -0.212217 4 -0.066995 5 0.015311 6 -0.076969 7 0.041588 8 -0.024787 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.46D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-8.57446E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.68874E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.66905E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-3.35488E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.81118E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.69075E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.56651E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.13628E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2142361 0.3469632 1.0090720 c 2.08D-01 ED = -0.501072; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011425 35.5266993** 4.34D-01 < 2s|9s1>=-7.7D-02 < 1s|9s1>= 2.2D-01 9s1 0.1023729 1.2723966 1.0931330** 1.14D-01 9d1 0.1093345 -0.1669134 0.9989065** 3.24D-02 <2ph|9p2>= 2.4D-01 9p2 0.2043200 0.0153881 1.0278412** 1.20D-01 < 2s|9s2>= 7.8D-01 <3sh|9s2>=-9.0D-02 < 1s|9s2>=-6.0D-01 9s2 0.2656235 0.4196877 8.1850564** 6.46D-01 <3dh|9d2>=-1.2D-01 9d2 0.2428204 -0.2134983 0.9736801** 5.89D-02 <2ph|9p3>=-3.7D-01 9p3 0.2867388 0.3268414 1.1301429** 1.56D-01 9f1 0.2394453 0.0335765 0.9951128** 3.77D-02 < 2s|9s1>= 1.2D-07 < 1s|9s1>= 8.7D-08 < 2s|9s2>=-5.4D-06 <3sh|9s2>=-1.1D-06 < 1s|9s2>=-4.0D-06 1 -0.406068 2 0.201639 3 -0.213416 4 -0.068044 5 0.014489 6 -0.074585 7 0.042195 8 -0.025067 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.08D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-8.45950E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64519E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.85433E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-2.78513E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.94611E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.67106E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 9.01934E-04 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.40463E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2149257 0.3456539 0.9962264 c 3.21D-03 ED = -0.380665; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011504 28.2685762** 4.34D-01 < 2s|9s1>=-2.7D-01 < 1s|9s1>= 1.7D-01 9s1 0.0966538 0.8516663 1.1767932** 1.67D-01 9d1 0.0936563 -0.1662903 1.0007963** 3.34D-03 <2ph|9p2>=-1.6D-01 9p2 0.1871772 -0.0696087 1.0190530** 7.35D-02 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.1D-01 < 1s|9s2>=-5.7D-01 9s2 0.2578772 0.3551378 12.2436960** 5.27D-01 <3dh|9d2>=-2.2D-01 9d2 0.2320356 -0.2107824 1.0217103** 6.67D-02 <2ph|9p3>=-3.6D-01 9p3 0.2980590 0.3392456 1.0663172** 1.80D-01 9f1 0.2035540 0.0330265 1.0055209** 1.19D-02 < 2s|9s1>=-4.8D-07 < 1s|9s1>=-3.6D-07 < 2s|9s2>=-2.3D-05 <3sh|9s2>=-4.6D-06 < 1s|9s2>=-1.7D-05 1 0.401399 2 0.201499 3 -0.213017 4 -0.069366 5 0.005283 6 -0.074177 7 0.041765 8 -0.025035 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.76D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-8.45680E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64104E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.84142E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-7.62439E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.94033E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.52559E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 2.60325E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.49519E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156966 0.3456826 1.0000829 c 3.57D-03 ED = -0.381720; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011818 28.6071965** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0997362 0.9109933 1.1527251** 1.52D-01 9d1 0.0979834 -0.1664493 0.9998724** 1.68D-03 <2ph|9p2>=-2.8D-01 9p2 0.1904676 -0.0942135 1.0367409** 1.20D-01 < 2s|9s2>= 7.9D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.9D-01 9s2 0.3113367 0.3094883 27.1213163** 7.24D-01 <3dh|9d2>=-2.3D-01 9d2 0.2353100 -0.2109262 1.0247575** 7.74D-02 <2ph|9p3>=-4.0D-01 9p3 0.3032639 0.3237903 1.0884876** 1.99D-01 9f1 0.2138641 0.0331866 0.9990003** 1.75D-03 < 2s|9s1>=-3.6D-07 < 1s|9s1>=-2.7D-07 < 2s|9s2>=-2.3D-05 <3sh|9s2>=-4.7D-06 < 1s|9s2>=-1.7D-05 1 -0.403703 2 0.201139 3 -0.213034 4 -0.069374 5 0.006909 6 -0.074187 7 0.041740 8 -0.025024 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.74D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-8.47297E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64622E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81378E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-5.77260E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.47439E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.45712E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.52580E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50103E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156357 0.3456656 0.9999509 c 2.83D-04 ED = -0.379522; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011759 28.4268358** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995267 0.9049986 1.1580955** 1.54D-01 9d1 0.0977170 -0.1664333 0.9999733** 4.46D-04 <2ph|9p2>=-2.6D-01 9p2 0.1903312 -0.0891317 1.0265046** 1.08D-01 < 2s|9s2>= 8.1D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.7D-01 9s2 0.2875381 0.3665823 22.8477595** 7.00D-01 <3dh|9d2>=-2.2D-01 9d2 0.2357503 -0.2110110 1.0239251** 7.60D-02 <2ph|9p3>=-3.8D-01 9p3 0.3032023 0.3298794 1.0820424** 1.89D-01 9f1 0.2130303 0.0331767 1.0000359** 2.15D-04 < 2s|9s1>=-3.8D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.4D-06 < 1s|9s2>=-1.6D-05 1 0.402164 2 0.201169 3 -0.213027 4 -0.069413 5 0.005960 6 -0.074198 7 0.041739 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-8.47008E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64566E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81649E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.72979E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.71423E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-4.00990E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.75390E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50013E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156437 0.3456836 1.0000520 c 3.72D-05 ED = -0.381076; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011777 28.5364601** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995883 0.9070387 1.1564809** 1.53D-01 9d1 0.0978348 -0.1664314 1.0000107** 1.87D-04 <2ph|9p2>=-2.6D-01 9p2 0.1905485 -0.0898646 1.0285756** 1.10D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2988135 0.3427621 25.2205577** 7.23D-01 <3dh|9d2>=-2.2D-01 9d2 0.2354692 -0.2109626 1.0242392** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3035189 0.3278706 1.0840574** 1.92D-01 9f1 0.2135239 0.0331787 0.9999979** 1.01D-04 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.7D-05 1 -0.403067 2 0.201178 3 -0.213037 4 -0.069408 5 0.006447 6 -0.074201 7 0.041741 8 -0.025022 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-8.47076E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64570E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81489E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.20277E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.58226E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.70646E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.63381E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50023E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156209 0.3456720 0.9999666 c 1.05D-04 ED = -0.380235; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011770 28.4715883** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995226 0.9054505 1.1573504** 1.54D-01 9d1 0.0977243 -0.1664304 0.9999980** 9.65D-05 <2ph|9p2>=-2.6D-01 9p2 0.1904010 -0.0894879 1.0273225** 1.08D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2930280 0.3541867 23.8985189** 7.12D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355284 -0.2109812 1.0240195** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033244 0.3288010 1.0831552** 1.90D-01 9f1 0.2132817 0.0331777 1.0000125** 5.51D-05 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 0.402601 2 0.201177 3 -0.213031 4 -0.069410 5 0.006200 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-8.47026E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64562E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81589E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.46030E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.64679E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.85473E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.70451E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50003E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156311 0.3456773 1.0000153 c 4.70D-05 ED = -0.380673; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011775 28.5048219** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995590 0.9063690 1.1568385** 1.53D-01 9d1 0.0977847 -0.1664313 1.0000007** 5.11D-05 <2ph|9p2>=-2.6D-01 9p2 0.1904782 -0.0897350 1.0280399** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2958554 0.3487094 24.5507760** 7.18D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355010 -0.2109716 1.0241257** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3034172 0.3283364 1.0836006** 1.91D-01 9f1 0.2134069 0.0331783 0.9999928** 2.87D-05 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 -0.402830 2 0.201176 3 -0.213034 4 -0.069409 5 0.006322 6 -0.074201 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-8.47053E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64566E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81533E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.33045E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.61425E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.78000E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.66644E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50012E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156256 0.3456747 0.9999925 c 2.53D-05 ED = -0.380459; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011772 28.4883809** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995411 0.9059427 1.1570906** 1.54D-01 9d1 0.0977557 -0.1664308 0.9999996** 2.54D-05 <2ph|9p2>=-2.6D-01 9p2 0.1904411 -0.0896020 1.0276665** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2944360 0.3514776 24.2227019** 7.15D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355155 -0.2109767 1.0240719** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033723 0.3285799 1.0833643** 1.91D-01 9f1 0.2133442 0.0331779 1.0000039** 1.43D-05 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 0.402717 2 0.201177 3 -0.213032 4 -0.069410 5 0.006261 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-8.47039E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64564E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81561E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.39445E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.63029E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.81685E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.68529E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50007E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156281 0.3456760 1.0000037 c 1.16D-05 ED = -0.380565; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011773 28.4964595** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995498 0.9061527 1.1569661** 1.53D-01 9d1 0.0977699 -0.1664310 1.0000002** 1.26D-05 <2ph|9p2>=-2.6D-01 9p2 0.1904593 -0.0896672 1.0278500** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2951404 0.3500999 24.3844117** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355078 -0.2109741 1.0240986** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033948 0.3284590 1.0834814** 1.91D-01 9f1 0.2133754 0.0331781 0.9999982** 7.03D-06 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 -0.402773 2 0.201176 3 -0.213033 4 -0.069410 5 0.006291 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-8.47046E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64565E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81547E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.36248E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62228E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.79844E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.67599E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50009E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156269 0.3456754 0.9999981 c 5.89D-06 ED = -0.380512; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011773 28.4924250** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995454 0.9060486 1.1570278** 1.53D-01 9d1 0.0977628 -0.1664309 0.9999999** 6.28D-06 <2ph|9p2>=-2.6D-01 9p2 0.1904502 -0.0896352 1.0277591** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2947891 0.3507873 24.3036993** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355116 -0.2109754 1.0240853** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033836 0.3285191 1.0834231** 1.91D-01 9f1 0.2133599 0.0331780 1.0000009** 3.51D-06 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 0.402745 2 0.201177 3 -0.213033 4 -0.069410 5 0.006276 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-8.47043E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64565E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81554E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.37838E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62627E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.80759E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.68062E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50008E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156275 0.3456757 1.0000009 c 2.92D-06 ED = -0.380538; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011773 28.4944335** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995476 0.9061007 1.1569970** 1.53D-01 9d1 0.0977664 -0.1664310 1.0000001** 3.13D-06 <2ph|9p2>=-2.6D-01 9p2 0.1904548 -0.0896511 1.0278043** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2949639 0.3504456 24.3438545** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355097 -0.2109747 1.0240919** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033892 0.3284893 1.0834521** 1.91D-01 9f1 0.2133676 0.0331781 0.9999996** 1.75D-06 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 -0.402759 2 0.201177 3 -0.213033 4 -0.069410 5 0.006284 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-8.47044E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64565E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81550E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.37045E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62428E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.80303E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.67831E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50009E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156272 0.3456755 0.9999995 c 1.46D-06 ED = -0.380525; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011773 28.4934324** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995465 0.9060747 1.1570123** 1.53D-01 9d1 0.0977646 -0.1664310 1.0000000** 1.56D-06 <2ph|9p2>=-2.6D-01 9p2 0.1904525 -0.0896432 1.0277818** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2948768 0.3506158 24.3238448** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355107 -0.2109751 1.0240886** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033864 0.3285042 1.0834377** 1.91D-01 9f1 0.2133638 0.0331780 1.0000002** 8.71D-07 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 0.402752 2 0.201177 3 -0.213033 4 -0.069410 5 0.006280 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-8.47043E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64565E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81552E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.37440E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62527E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.80530E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.67946E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50008E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156273 0.3456756 1.0000002 c 7.26D-07 ED = -0.380532; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011773 28.4939306** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995470 0.9060876 1.1570047** 1.53D-01 9d1 0.0977655 -0.1664310 1.0000000** 7.76D-07 <2ph|9p2>=-2.6D-01 9p2 0.1904536 -0.0896471 1.0277930** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2949201 0.3505311 24.3338048** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355102 -0.2109749 1.0240903** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033878 0.3284967 1.0834448** 1.91D-01 9f1 0.2133657 0.0331780 0.9999999** 4.33D-07 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 -0.402756 2 0.201177 3 -0.213033 4 -0.069410 5 0.006282 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-8.47044E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64565E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81551E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.37243E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62478E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.80417E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.67889E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50008E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156273 0.3456756 0.9999999 c 3.62D-07 ED = -0.380528; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011773 28.4936825** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995468 0.9060812 1.1570085** 1.53D-01 9d1 0.0977651 -0.1664310 1.0000000** 3.86D-07 <2ph|9p2>=-2.6D-01 9p2 0.1904531 -0.0896452 1.0277874** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2948986 0.3505733 24.3288450** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355104 -0.2109750 1.0240894** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033871 0.3285004 1.0834413** 1.91D-01 9f1 0.2133648 0.0331780 1.0000001** 2.16D-07 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 0.402754 2 0.201177 3 -0.213033 4 -0.069410 5 0.006281 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-8.47044E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64565E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81552E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.37341E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62502E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.80474E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.67917E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50008E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156273 0.3456756 1.0000001 c 1.80D-07 ED = -0.380530; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011773 28.4938061** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995469 0.9060844 1.1570066** 1.53D-01 9d1 0.0977653 -0.1664310 1.0000000** 1.92D-07 <2ph|9p2>=-2.6D-01 9p2 0.1904533 -0.0896461 1.0277902** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2949093 0.3505522 24.3313144** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355103 -0.2109749 1.0240898** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033875 0.3284986 1.0834430** 1.91D-01 9f1 0.2133652 0.0331780 1.0000000** 1.07D-07 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 -0.402755 2 0.201177 3 -0.213033 4 -0.069410 5 0.006281 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-8.47044E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64565E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81552E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.37292E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62490E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.80445E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.67903E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50008E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156273 0.3456756 1.0000000 c 8.97D-08 ED = -0.380529; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011773 28.4937446** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995468 0.9060828 1.1570075** 1.53D-01 9d1 0.0977652 -0.1664310 1.0000000** 9.57D-08 <2ph|9p2>=-2.6D-01 9p2 0.1904532 -0.0896457 1.0277888** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2949040 0.3505627 24.3300848** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355104 -0.2109750 1.0240896** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033873 0.3284995 1.0834422** 1.91D-01 9f1 0.2133650 0.0331780 1.0000000** 5.35D-08 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 0.402755 2 0.201177 3 -0.213033 4 -0.069410 5 0.006281 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-8.47044E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64565E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81552E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.37317E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62496E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.80459E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.67910E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50008E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156273 0.3456756 1.0000000 c 4.47D-08 ED = -0.380529; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011773 28.4937752** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995469 0.9060836 1.1570071** 1.53D-01 9d1 0.0977652 -0.1664310 1.0000000** 4.77D-08 <2ph|9p2>=-2.6D-01 9p2 0.1904533 -0.0896459 1.0277895** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2949066 0.3505575 24.3306970** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355103 -0.2109749 1.0240897** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033874 0.3284991 1.0834426** 1.91D-01 9f1 0.2133651 0.0331780 1.0000000** 2.66D-08 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 -0.402755 2 0.201177 3 -0.213033 4 -0.069410 5 0.006281 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-8.47044E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64565E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81552E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.37304E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62493E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.80453E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.67907E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50008E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156273 0.3456756 1.0000000 c 2.22D-08 ED = -0.380529; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011773 28.4937599** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995469 0.9060832 1.1570073** 1.53D-01 9d1 0.0977652 -0.1664310 1.0000000** 2.37D-08 <2ph|9p2>=-2.6D-01 9p2 0.1904532 -0.0896458 1.0277891** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2949053 0.3505601 24.3303922** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355104 -0.2109750 1.0240897** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033874 0.3284993 1.0834424** 1.91D-01 9f1 0.2133650 0.0331780 1.0000000** 1.33D-08 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 0.402755 2 0.201177 3 -0.213033 4 -0.069410 5 0.006281 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-8.47044E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.64565E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.81552E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-6.37311E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62494E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.80456E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) = 1.67908E-03 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50008E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2156273 0.3456756 1.0000000 c 1.11D-08 ED = -0.380529; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011773 28.4937675** 4.34D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>= 1.8D-01 9s1 0.0995469 0.9060834 1.1570072** 1.53D-01 9d1 0.0977652 -0.1664310 1.0000000** 1.18D-08 <2ph|9p2>=-2.6D-01 9p2 0.1904533 -0.0896458 1.0277893** 1.09D-01 < 2s|9s2>= 8.0D-01 <3sh|9s2>=-1.0D-01 < 1s|9s2>=-5.8D-01 9s2 0.2949060 0.3505588 24.3305440** 7.16D-01 <3dh|9d2>=-2.2D-01 9d2 0.2355103 -0.2109749 1.0240897** 7.59D-02 <2ph|9p3>=-3.8D-01 9p3 0.3033874 0.3284992 1.0834425** 1.91D-01 9f1 0.2133651 0.0331780 1.0000000** 6.60D-09 < 2s|9s1>=-3.7D-07 < 1s|9s1>=-2.8D-07 < 2s|9s2>=-2.2D-05 <3sh|9s2>=-4.5D-06 < 1s|9s2>=-1.6D-05 1 -0.402755 2 0.201177 3 -0.213033 4 -0.069410 5 0.006281 6 -0.074200 7 0.041740 8 -0.025021 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.75D-01 *** CALCULATIONS FOR k^2 = 0.6200 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.179666 2 0.191748 3 -0.209200 4 -0.065440 5 -0.001967 6 -0.073306 7 0.042458 8 -0.024696 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-8.73982E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.76182E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.13546E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.19811E+01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.05336E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.35597E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.97978E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.18618E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 107points in CSOLVE. End of range: 20.085536923188 au. kpc 0.2182029 0.3411627 0.9869448 c 1.18D-02 ED = -0.779248; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0009258 54.1135702** 4.36D-01 < 2s|9s1>= 2.0D-01 < 1s|9s1>= 2.2D-01 9s1 0.1473886 1.7192050 0.9992384** 2.13D-01 9d1 0.1554331 -0.1631655 1.0103888** 2.52D-02 <2ph|9p2>=-4.6D-01 9p2 0.2584763 -0.1175098 1.1139888** 2.06D-01 < 2s|9s2>=-9.4D-01 <3sh|9s2>= 8.6D-02 < 1s|9s2>= 2.5D-01 9s2 0.2389267 -1.3413433 59.9339189** 7.65D-01 <3dh|9d2>=-1.4D-01 9d2 0.2898534 -0.2097184 1.0186422** 6.07D-02 <2ph|9p3>=-1.8D-01 9p3 0.3095741 0.3764212 1.0296493** 8.31D-02 9f1 0.2755543 0.0340653 0.9945442** 5.87D-02 < 2s|9s1>= 4.0D-07 < 1s|9s1>= 3.0D-07 < 2s|9s2>= 3.7D-07 <3sh|9s2>= 7.6D-08 < 1s|9s2>= 2.8D-07 1 0.205499 2 0.197140 3 -0.216626 4 -0.065434 5 -0.024511 6 -0.074647 7 0.044341 8 -0.024984 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 7.83D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-8.51191E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.77229E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.38736E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.50040E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.01423E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.15057E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.89904E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.13942E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2105946 0.3399020 0.9963047 c 3.61D-02 ED = -0.768964; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0009773 47.0784259** 4.37D-01 < 2s|9s1>=-1.2D-01 < 1s|9s1>= 9.7D-02 9s1 0.1225833 1.0388385 1.0669791** 7.67D-02 9d1 0.1231421 -0.1616301 1.0015021** 4.76D-03 <2ph|9p2>= 3.9D-02 9p2 0.2353234 -0.0237493 0.9993632** 1.98D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 1.1D-01 < 1s|9s2>= 5.2D-01 9s2 0.2732692 -0.8060441 2.9120114** 4.39D-01 <3dh|9d2>=-8.2D-02 9d2 0.2608384 -0.2096385 1.0052693** 2.73D-02 <2ph|9p3>=-1.4D-01 9p3 0.2908822 0.3866066 1.0139147** 6.41D-02 9f1 0.2393587 0.0330213 1.0103162** 1.52D-02 < 2s|9s1>=-1.0D-07 < 1s|9s1>=-7.8D-08 < 2s|9s2>=-2.0D-07 <3sh|9s2>=-4.1D-08 < 1s|9s2>=-1.5D-07 1 -0.188809 2 0.198394 3 -0.216745 4 -0.064197 5 -0.034275 6 -0.074532 7 0.045113 8 -0.025279 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.98D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-8.49859E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75373E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57547E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.88873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.81246E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.28325E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.63462E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.04663E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2117906 0.3392992 0.9982267 c 5.65D-03 ED = -0.840479; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011472 51.6419310** 4.37D-01 < 2s|9s1>=-1.0D-01 < 1s|9s1>= 7.2D-02 9s1 0.1221116 1.0239341 1.0437589** 5.84D-02 9d1 0.1220983 -0.1616922 0.9999603** 7.40D-04 <2ph|9p2>=-8.7D-02 9p2 0.2358867 -0.0434587 0.9974930** 3.85D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 1.0D-01 < 1s|9s2>= 5.2D-01 9s2 0.2642183 -0.8302443 2.1857788** 4.93D-01 <3dh|9d2>=-8.5D-02 9d2 0.2608531 -0.2102225 1.0020954** 2.92D-02 <2ph|9p3>=-1.6D-01 9p3 0.2817537 0.3817260 1.0144481** 7.09D-02 9f1 0.2366172 0.0329180 1.0008805** 3.09D-03 < 2s|9s1>=-1.2D-07 < 1s|9s1>=-8.7D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.2D-08 < 1s|9s2>=-1.6D-07 1 0.184018 2 0.197997 3 -0.216548 4 -0.063819 5 -0.034970 6 -0.074456 7 0.045184 8 -0.025281 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.25D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-8.50577E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75560E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57808E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86430E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.74765E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.13046E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.65158E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03113E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121629 0.3391942 0.9996905 c 1.75D-03 ED = -0.856849; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011264 52.9672929** 4.36D-01 < 2s|9s1>=-9.3D-02 < 1s|9s1>= 7.6D-02 9s1 0.1228239 1.0481776 1.0398151** 5.61D-02 9d1 0.1231695 -0.1617062 0.9999715** 1.99D-04 <2ph|9p2>=-8.4D-02 9p2 0.2370505 -0.0424452 1.0011087** 3.61D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2646665 -0.8494142 2.1074397** 4.86D-01 <3dh|9d2>=-8.4D-02 9d2 0.2615608 -0.2101980 1.0027810** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2822508 0.3828845 1.0119484** 6.92D-02 9f1 0.2383444 0.0329422 0.9996953** 7.22D-04 < 2s|9s1>=-8.5D-08 < 1s|9s1>=-6.3D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 -0.183832 2 0.197888 3 -0.216532 4 -0.063773 5 -0.035279 6 -0.074453 7 0.045196 8 -0.025275 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-8.50806E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75706E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57832E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85008E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72209E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06059E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.67385E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03127E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121835 0.3391914 0.9999917 c 9.72D-05 ED = -0.857936; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011211 53.0536769** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228404 1.0483371 1.0407584** 5.70D-02 9d1 0.1232433 -0.1617091 0.9999927** 5.85D-05 <2ph|9p2>=-7.8D-02 9p2 0.2371170 -0.0411148 1.0009954** 3.35D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647822 -0.8481552 2.0930981** 4.87D-01 <3dh|9d2>=-8.3D-02 9d2 0.2616915 -0.2102132 1.0026802** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824111 0.3832785 1.0117420** 6.84D-02 9f1 0.2384741 0.0329415 1.0000086** 1.41D-04 < 2s|9s1>=-8.5D-08 < 1s|9s1>=-6.3D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 0.183967 2 0.197913 3 -0.216536 4 -0.063775 5 -0.035273 6 -0.074455 7 0.045197 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.02D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-8.50723E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75689E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57915E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85001E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72291E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06159E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66781E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03224E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121908 0.3391893 0.9999936 c 3.47D-05 ED = -0.856958; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011202 53.0191274** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228206 1.0474880 1.0408668** 5.71D-02 9d1 0.1232071 -0.1617073 1.0000043** 1.42D-05 <2ph|9p2>=-7.8D-02 9p2 0.2370742 -0.0411887 1.0010650** 3.36D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647000 -0.8467959 2.0958818** 4.88D-01 <3dh|9d2>=-8.3D-02 9d2 0.2616402 -0.2102095 1.0027049** 2.76D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824326 0.3829892 1.0118283** 6.90D-02 9f1 0.2385255 0.0329433 0.9999945** 9.75D-06 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 -0.184026 2 0.197918 3 -0.216537 4 -0.063777 5 -0.035256 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-8.50707E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75685E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85056E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72428E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06497E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66652E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03271E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121881 0.3391888 0.9999985 c 1.30D-05 ED = -0.856638; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011203 53.0012668** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228189 1.0473250 1.0408960** 5.71D-02 9d1 0.1232025 -0.1617071 1.0000004** 2.32D-06 <2ph|9p2>=-7.8D-02 9p2 0.2370649 -0.0412324 1.0010612** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647001 -0.8467887 2.0971558** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616366 -0.2102092 1.0027070** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824378 0.3829875 1.0118351** 6.90D-02 9f1 0.2385156 0.0329433 1.0000002** 7.68D-06 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 0.184034 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-8.50705E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57922E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85074E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72469E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06597E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66640E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03276E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121867 0.3391888 0.9999999 c 6.34D-06 ED = -0.856610; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011204 52.9985160** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228188 1.0473183 1.0408962** 5.71D-02 9d1 0.1232024 -0.1617070 1.0000001** 5.37D-07 <2ph|9p2>=-7.8D-02 9p2 0.2370638 -0.0412417 1.0010636** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647015 -0.8468491 2.0973836** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616372 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824375 0.3829863 1.0118391** 6.90D-02 9f1 0.2385122 0.0329433 1.0000001** 1.83D-06 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 -0.184033 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035251 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85076E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72470E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06603E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66645E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121865 0.3391887 1.0000000 c 1.11D-06 ED = -0.856620; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011204 52.9987271** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473197 1.0408950** 5.71D-02 9d1 0.1232024 -0.1617070 1.0000000** 8.68D-08 <2ph|9p2>=-7.8D-02 9p2 0.2370639 -0.0412420 1.0010628** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468593 2.0973674** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616374 -0.2102091 1.0027082** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824368 0.3829881 1.0118388** 6.90D-02 9f1 0.2385110 0.0329432 1.0000001** 2.46D-07 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72469E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06599E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121865 0.3391887 1.0000000 c 9.52D-08 ED = -0.856625; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011204 52.9989794** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473219 1.0408943** 5.71D-02 9d1 0.1232024 -0.1617070 1.0000000** 3.86D-08 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412417 1.0010626** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468604 2.0973494** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616374 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829885 1.0118386** 6.90D-02 9f1 0.2385110 0.0329432 1.0000000** 8.90D-08 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 -0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72468E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06598E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121865 0.3391887 1.0000000 c 8.65D-08 ED = -0.856626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011204 52.9990414** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473225 1.0408943** 5.71D-02 9d1 0.1232025 -0.1617070 1.0000000** 9.51D-09 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412416 1.0010626** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468602 2.0973448** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616375 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829886 1.0118385** 6.90D-02 9f1 0.2385110 0.0329432 1.0000000** 3.31D-08 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72468E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06597E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121866 0.3391887 1.0000000 c 1.94D-08 ED = -0.856626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011204 52.9990441** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473225 1.0408943** 5.71D-02 9d1 0.1232025 -0.1617070 1.0000000** 7.30D-10 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412416 1.0010626** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468600 2.0973446** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616375 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829885 1.0118385** 6.90D-02 9f1 0.2385111 0.0329432 1.0000000** 4.59D-09 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 -0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72468E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06597E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121866 0.3391887 1.0000000 c 5.51D-10 ED = -0.856626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011204 52.9990410** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473225 1.0408943** 5.71D-02 9d1 0.1232025 -0.1617070 1.0000000** 5.33D-10 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412416 1.0010627** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468600 2.0973448** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616375 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829885 1.0118385** 6.90D-02 9f1 0.2385111 0.0329432 1.0000000** 7.68D-10 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72468E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06597E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121866 0.3391887 1.0000000 c 1.08D-09 ED = -0.856626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011204 52.9990399** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473225 1.0408943** 5.71D-02 9d1 0.1232025 -0.1617070 1.0000000** 1.74D-10 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412416 1.0010627** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468600 2.0973449** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616375 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829885 1.0118385** 6.90D-02 9f1 0.2385111 0.0329432 1.0000000** 5.01D-10 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 -0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72468E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06597E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121866 0.3391887 1.0000000 c 3.66D-10 ED = -0.856626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011204 52.9990398** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473225 1.0408943** 5.71D-02 9d1 0.1232025 -0.1617070 1.0000000** 1.90D-11 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412416 1.0010627** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468600 2.0973449** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616375 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829885 1.0118385** 6.90D-02 9f1 0.2385111 0.0329432 1.0000000** 1.04D-10 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72468E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06597E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121866 0.3391887 1.0000000 c 4.21D-11 ED = -0.856626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011204 52.9990398** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473225 1.0408943** 5.71D-02 9d1 0.1232025 -0.1617070 1.0000000** 5.27D-12 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412416 1.0010627** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468600 2.0973449** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616375 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829885 1.0118385** 6.90D-02 9f1 0.2385111 0.0329432 1.0000000** 1.27D-11 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 -0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72468E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06597E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121866 0.3391887 1.0000000 c 1.04D-11 ED = -0.856626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011204 52.9990399** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473225 1.0408943** 5.71D-02 9d1 0.1232025 -0.1617070 1.0000000** 2.74D-12 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412416 1.0010627** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468600 2.0973449** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616375 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829885 1.0118385** 6.90D-02 9f1 0.2385111 0.0329432 1.0000000** 6.61D-12 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72468E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06597E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121866 0.3391887 1.0000000 c 5.69D-12 ED = -0.856626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011204 52.9990399** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473225 1.0408943** 5.71D-02 9d1 0.1232025 -0.1617070 1.0000000** 4.95D-13 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412416 1.0010627** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468600 2.0973449** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616375 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829885 1.0118385** 6.90D-02 9f1 0.2385111 0.0329432 1.0000000** 1.97D-12 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 -0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72468E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06597E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121866 0.3391887 1.0000000 c 1.07D-12 ED = -0.856626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0011204 52.9990399** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473225 1.0408943** 5.71D-02 9d1 0.1232025 -0.1617070 1.0000000** 4.76D-14 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412416 1.0010627** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468600 2.0973449** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616375 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829885 1.0118385** 6.90D-02 9f1 0.2385111 0.0329432 1.0000000** 2.56D-13 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-8.50706E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.75684E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.57921E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85075E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.72468E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.06597E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.66647E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.03275E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2121866 0.3391887 1.0000000 c 2.11D-14 ED = -0.856626; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0011204 52.9990399** 4.36D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>= 7.7D-02 9s1 0.1228187 1.0473225 1.0408943** 5.71D-02 9d1 0.1232025 -0.1617070 1.0000000** 3.67D-14 <2ph|9p2>=-7.8D-02 9p2 0.2370641 -0.0412416 1.0010627** 3.37D-02 < 2s|9s2>=-7.6D-01 <3sh|9s2>= 9.9D-02 < 1s|9s2>= 5.1D-01 9s2 0.2647019 -0.8468600 2.0973449** 4.88D-01 <3dh|9d2>=-8.4D-02 9d2 0.2616375 -0.2102091 1.0027081** 2.77D-02 <2ph|9p3>=-1.5D-01 9p3 0.2824366 0.3829885 1.0118385** 6.90D-02 9f1 0.2385111 0.0329432 1.0000000** 7.11D-14 < 2s|9s1>=-8.6D-08 < 1s|9s1>=-6.4D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 -0.184032 2 0.197919 3 -0.216537 4 -0.063778 5 -0.035252 6 -0.074455 7 0.045195 8 -0.025273 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 8.03D-02 *** CALCULATIONS FOR k^2 = 0.6000 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.122361 2 0.190977 3 -0.212891 4 -0.061184 5 -0.037167 6 -0.073550 7 0.044780 8 -0.025019 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-8.73691E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.85725E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.80636E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90326E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.59527E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.85289E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.55823E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.01684E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 107points in CSOLVE. End of range: 20.085536923188 au. kpc 0.2122766 0.3330804 0.9819913 c 4.24D-04 ED = -1.183415; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0006347 63.6291202** 4.37D-01 < 2s|9s1>= 2.2D-01 < 1s|9s1>= 1.9D-01 9s1 0.1637386 1.6940800 1.0010139** 2.12D-01 9d1 0.1712187 -0.1583747 1.0106175** 2.45D-02 <2ph|9p2>=-3.2D-01 9p2 0.2810508 -0.0804873 1.0487830** 1.41D-01 < 2s|9s2>=-8.9D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 9.7D-02 9s2 0.3028147 -1.8309829 1.8237165** 4.32D-01 <3dh|9d2>=-8.9D-02 9d2 0.3044923 -0.2068028 1.0104256** 3.67D-02 <2ph|9p3>=-2.6D-02 9p3 0.3153853 0.3995110 1.0154552** 3.66D-02 9f1 0.2891248 0.0333236 1.0016205** 5.32D-02 < 2s|9s1>= 4.0D-07 < 1s|9s1>= 3.0D-07 < 2s|9s2>=-4.3D-07 <3sh|9s2>=-8.6D-08 < 1s|9s2>=-3.2D-07 1 0.146790 2 0.197868 3 -0.219706 4 -0.062938 5 -0.038972 6 -0.074564 7 0.046218 8 -0.025330 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 5.35D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-8.40200E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.83969E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.11052E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.78945E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.64990E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.78914E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.39363E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.06957E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2029608 0.3317177 0.9959088 c 4.59D-02 ED = -1.186432; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0006952 53.0366720** 4.37D-01 < 2s|9s1>=-6.8D-02 < 1s|9s1>= 6.8D-02 9s1 0.1422097 1.0564371 1.0380461** 4.93D-02 9d1 0.1437456 -0.1570172 1.0016086** 2.43D-03 <2ph|9p2>= 4.3D-02 9p2 0.2598007 -0.0171418 1.0090678** 2.24D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.7D-02 < 1s|9s2>= 4.4D-01 9s2 0.2844407 -1.0377382 1.3920381** 3.72D-01 <3dh|9d2>=-4.9D-02 9d2 0.2823817 -0.2061689 1.0024136** 1.45D-02 <2ph|9p3>=-8.5D-02 9p3 0.2959333 0.3891286 1.0023652** 4.02D-02 9f1 0.2575428 0.0326408 1.0066011** 1.11D-02 < 2s|9s1>=-4.1D-08 < 1s|9s1>=-3.0D-08 < 2s|9s2>=-2.0D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.5D-07 1 -0.143600 2 0.199647 3 -0.220042 4 -0.063180 5 -0.039649 6 -0.074514 7 0.046295 8 -0.025535 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.42D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-8.36052E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81463E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19404E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77680E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.58718E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.66173E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.22343E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.06058E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2031851 0.3312113 0.9984735 c 1.10D-03 ED = -1.213193; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0008427 54.3308553** 4.37D-01 < 2s|9s1>=-6.5D-02 < 1s|9s1>= 5.3D-02 9s1 0.1414970 1.0414010 1.0252486** 3.84D-02 9d1 0.1426979 -0.1569997 1.0000430** 2.80D-04 <2ph|9p2>=-3.5D-02 9p2 0.2594590 -0.0316842 0.9983598** 1.58D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.5D-01 9s2 0.2827686 -1.0201690 1.3820788** 3.76D-01 <3dh|9d2>=-5.1D-02 9d2 0.2820663 -0.2064528 1.0003640** 1.69D-02 <2ph|9p3>=-8.7D-02 9p3 0.2911157 0.3891252 1.0038548** 3.96D-02 9f1 0.2536304 0.0325615 1.0005079** 1.36D-03 < 2s|9s1>=-5.5D-08 < 1s|9s1>=-4.1D-08 < 2s|9s2>=-1.8D-07 <3sh|9s2>=-3.7D-08 < 1s|9s2>=-1.4D-07 1 0.141239 2 0.199453 3 -0.219920 4 -0.063032 5 -0.039750 6 -0.074444 7 0.046286 8 -0.025546 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.27D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-8.36278E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81488E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19431E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77644E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57844E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64313E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24027E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05403E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033819 0.3311119 0.9996999 c 9.68D-04 ED = -1.230890; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0008339 55.2076381** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.5D-02 9s1 0.1419745 1.0556906 1.0232799** 3.71D-02 9d1 0.1434066 -0.1570071 0.9999712** 8.82D-05 <2ph|9p2>=-3.7D-02 9p2 0.2602139 -0.0318805 0.9996653** 1.62D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833284 -1.0442850 1.3682664** 3.72D-01 <3dh|9d2>=-5.1D-02 9d2 0.2827486 -0.2064574 1.0007892** 1.69D-02 <2ph|9p3>=-8.1D-02 9p3 0.2913427 0.3903937 1.0035327** 3.64D-02 9f1 0.2542106 0.0325634 0.9998702** 2.47D-04 < 2s|9s1>=-3.8D-08 < 1s|9s1>=-2.8D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.141256 2 0.199410 3 -0.219900 4 -0.063026 5 -0.039757 6 -0.074439 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-8.36249E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81523E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19318E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77625E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57816E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64184E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24971E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05427E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033578 0.3311051 0.9999794 c 1.18D-04 ED = -1.231295; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0008292 55.2108282** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1420047 1.0574522 1.0235135** 3.75D-02 9d1 0.1435001 -0.1570087 0.9999981** 1.50D-05 <2ph|9p2>=-3.5D-02 9p2 0.2602557 -0.0314240 0.9997783** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833827 -1.0448058 1.3685639** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828718 -0.2064622 1.0007848** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914864 0.3904362 1.0035289** 3.63D-02 9f1 0.2543614 0.0325657 0.9999787** 4.86D-05 < 2s|9s1>=-3.6D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.141323 2 0.199422 3 -0.219903 4 -0.063031 5 -0.039753 6 -0.074438 7 0.046283 8 -0.025540 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-8.36202E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81515E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19338E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77623E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57856E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64243E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24847E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05468E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033541 0.3311042 0.9999973 c 1.84D-05 ED = -1.230510; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0008288 55.1865373** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419920 1.0570305 1.0235798** 3.76D-02 9d1 0.1434826 -0.1570077 1.0000020** 5.35D-06 <2ph|9p2>=-3.5D-02 9p2 0.2602344 -0.0314228 0.9997458** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833561 -1.0440567 1.3691104** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828561 -0.2064620 1.0007976** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914912 0.3903654 1.0035370** 3.65D-02 9f1 0.2543622 0.0325660 0.9999999** 4.61D-06 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.141334 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025540 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19345E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64254E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033534 0.3311039 0.9999991 c 3.35D-06 ED = -1.230388; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0008289 55.1822239** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419898 1.0569229 1.0235867** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000003** 7.46D-07 <2ph|9p2>=-3.5D-02 9p2 0.2602305 -0.0314358 0.9997383** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833538 -1.0440736 1.3691730** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828529 -0.2064620 1.0007982** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914883 0.3903609 1.0035397** 3.65D-02 9f1 0.2543556 0.0325659 1.0000008** 1.59D-06 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.141333 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64254E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24811E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033533 0.3311038 0.9999997 c 7.58D-07 ED = -1.230403; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0008289 55.1825161** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419898 1.0569192 1.0235855** 3.76D-02 9d1 0.1434784 -0.1570075 1.0000000** 5.44D-08 <2ph|9p2>=-3.5D-02 9p2 0.2602306 -0.0314377 0.9997395** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833543 -1.0441043 1.3691584** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828530 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914875 0.3903613 1.0035400** 3.65D-02 9f1 0.2543545 0.0325659 1.0000001** 3.00D-07 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 0.9999999 c 1.35D-07 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0008289 55.1827212** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569218 1.0235851** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 2.67D-08 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314375 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441069 1.3691532** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543544 0.0325659 1.0000000** 4.02D-08 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 9.79D-09 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0008289 55.1827518** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235850** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 4.12D-09 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314375 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441064 1.3691529** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 1.21D-08 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 4.46D-09 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0008289 55.1827492** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235850** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 4.87D-10 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314374 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441063 1.3691530** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 2.78D-09 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 4.41D-10 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0008289 55.1827473** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235850** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 3.07D-10 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314374 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441063 1.3691530** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 3.63D-10 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 3.59D-10 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0008289 55.1827471** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235851** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 4.82D-11 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314374 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441063 1.3691530** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 1.32D-10 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 5.92D-11 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0008289 55.1827471** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235851** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 5.13D-12 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314374 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441063 1.3691530** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 2.28D-11 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 9.84D-13 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0008289 55.1827471** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235851** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 2.60D-12 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314374 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441063 1.3691530** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 3.82D-12 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 2.09D-12 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0008289 55.1827471** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235851** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 2.84D-13 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314374 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441063 1.3691530** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 1.28D-12 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 2.61D-13 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0008289 55.1827471** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235851** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 6.75D-14 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314374 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441063 1.3691530** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 1.66D-13 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 4.24D-14 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0008289 55.1827471** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235851** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 2.52D-14 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314374 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441063 1.3691530** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 3.55D-14 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 4.78D-15 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0008289 55.1827471** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235851** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 1.70D-15 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314374 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441063 1.3691530** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 1.26D-14 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-8.36198E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.81513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.19346E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77622E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.57862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.64253E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.24813E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05481E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2033532 0.3311038 1.0000000 c 2.73D-15 ED = -1.230410; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0008289 55.1827471** 4.37D-01 < 2s|9s1>=-5.8D-02 < 1s|9s1>= 5.6D-02 9s1 0.1419899 1.0569225 1.0235851** 3.76D-02 9d1 0.1434785 -0.1570075 1.0000000** 9.92D-16 <2ph|9p2>=-3.5D-02 9p2 0.2602307 -0.0314374 0.9997397** 1.52D-02 < 2s|9s2>=-6.3D-01 <3sh|9s2>= 9.3D-02 < 1s|9s2>= 4.4D-01 9s2 0.2833544 -1.0441063 1.3691530** 3.73D-01 <3dh|9d2>=-5.1D-02 9d2 0.2828531 -0.2064620 1.0007983** 1.68D-02 <2ph|9p3>=-8.1D-02 9p3 0.2914874 0.3903618 1.0035398** 3.65D-02 9f1 0.2543545 0.0325659 1.0000000** 1.56D-15 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.141332 2 0.199424 3 -0.219904 4 -0.063031 5 -0.039752 6 -0.074438 7 0.046283 8 -0.025541 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 6.17D-02 *** CALCULATIONS FOR k^2 = 0.5800 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.107827 2 0.192842 3 -0.216241 4 -0.060813 5 -0.040704 6 -0.073578 7 0.045649 8 -0.025310 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-8.57927E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.91388E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.40705E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79910E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.55314E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56177E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-5.91460E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.09433E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 106points in CSOLVE. End of range: 21.380942759123 au. kpc 0.2041528 0.3222161 0.9731573 c 3.92D-03 ED = -1.929826; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0013060 124.4113670** 4.21D-01 < 2s|9s1>= 1.8D-01 < 1s|9s1>= 1.5D-01 9s1 0.1784259 1.5454481 0.9982818** 1.69D-01 9d1 0.1830025 -0.1527745 1.0125802** 2.31D-02 <2ph|9p2>=-2.3D-01 9p2 0.2989991 -0.0652362 1.0273642** 1.06D-01 < 2s|9s2>=-6.4D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 3.5D-01 9s2 0.3097401 -1.3135592 1.2638290** 3.38D-01 <3dh|9d2>=-6.8D-02 9d2 0.3146123 -0.2017763 1.0113401** 3.04D-02 <2ph|9p3>= 1.5D-02 9p3 0.3278277 0.3995059 1.0144803** 2.93D-02 9f1 0.3033035 0.0323873 1.0072977** 4.95D-02 < 2s|9s1>= 3.5D-07 < 1s|9s1>= 2.6D-07 < 2s|9s2>=-2.9D-07 <3sh|9s2>=-5.9D-08 < 1s|9s2>=-2.2D-07 1 0.094691 2 0.198059 3 -0.221443 4 -0.061420 5 -0.041112 6 -0.074146 7 0.046092 8 -0.025160 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 4.54D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-8.25498E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.90473E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.64391E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79303E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.67379E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.55353E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.40189E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.42624E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2101657 0.3211903 0.9968166 c 2.86D-02 ED = -1.668785; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0013563 141.5218892** 4.22D-01 < 2s|9s1>=-4.1D-02 < 1s|9s1>= 6.8D-02 9s1 0.1681780 1.0807399 1.0206324** 3.95D-02 9d1 0.1695779 -0.1520616 1.0007561** 1.91D-03 <2ph|9p2>= 6.4D-03 9p2 0.2945230 -0.0204106 1.0025657** 4.13D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.2D-02 < 1s|9s2>= 3.5D-01 9s2 0.3041256 -1.1876927 1.1441614** 2.72D-01 <3dh|9d2>=-3.6D-02 9d2 0.3071542 -0.2016912 1.0010307** 1.12D-02 <2ph|9p3>=-7.7D-02 9p3 0.3220976 0.3823936 1.0004185** 3.65D-02 9f1 0.3063314 0.0324477 1.0002369** 4.99D-03 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.095153 2 0.198882 3 -0.221934 4 -0.061557 5 -0.041042 6 -0.074201 7 0.046066 8 -0.025206 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.99D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-8.25001E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89942E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70459E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79909E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.67185E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.57034E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.40381E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47886E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099749 0.3208692 0.9990002 c 9.09D-04 ED = -1.660884; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0012956 140.8927179** 4.21D-01 < 2s|9s1>=-5.4D-02 < 1s|9s1>= 4.9D-02 9s1 0.1668609 1.0316769 1.0210078** 3.39D-02 9d1 0.1676921 -0.1519462 1.0001560** 2.69D-04 <2ph|9p2>=-1.2D-02 9p2 0.2935237 -0.0239011 0.9993467** 5.24D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.4D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035989 -1.1485718 1.1505065** 2.75D-01 <3dh|9d2>=-3.7D-02 9d2 0.3057338 -0.2016952 1.0002577** 1.20D-02 <2ph|9p3>=-8.1D-02 9p3 0.3195991 0.3816014 1.0035798** 3.66D-02 9f1 0.3029314 0.0323791 1.0005086** 1.07D-03 < 2s|9s1>=-3.7D-08 < 1s|9s1>=-2.8D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.4D-08 < 1s|9s2>=-1.2D-07 1 0.094375 2 0.198942 3 -0.221939 4 -0.061516 5 -0.041080 6 -0.074186 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 4.01D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-8.24730E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89807E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70930E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79913E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66955E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56384E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.38775E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47655E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099226 0.3207865 0.9997423 c 2.49D-04 ED = -1.673964; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0012942 142.0174775** 4.21D-01 < 2s|9s1>=-5.3D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669345 1.0332549 1.0200076** 3.32D-02 9d1 0.1678008 -0.1519377 1.0000091** 1.88D-05 <2ph|9p2>=-1.5D-02 9p2 0.2936548 -0.0246384 0.9997529** 6.82D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035719 -1.1568032 1.1476945** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058090 -0.2016934 1.0002833** 1.21D-02 <2ph|9p3>=-8.0D-02 9p3 0.3193847 0.3819013 1.0034415** 3.59D-02 9f1 0.3028507 0.0323747 0.9999931** 1.03D-04 < 2s|9s1>=-3.5D-08 < 1s|9s1>=-2.6D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 -0.094332 2 0.198935 3 -0.221934 4 -0.061515 5 -0.041078 6 -0.074181 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.98D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-8.24670E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89801E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70916E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79924E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66965E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56433E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47633E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099089 0.3207744 0.9999623 c 6.52D-05 ED = -1.674975; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0012950 142.0843102** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669445 1.0342914 1.0200167** 3.33D-02 9d1 0.1678401 -0.1519370 1.0000002** 3.88D-06 <2ph|9p2>=-1.5D-02 9p2 0.2936738 -0.0245310 0.9997647** 6.56D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3036023 -1.1573782 1.1474144** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058711 -0.2016958 1.0002826** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194070 0.3819917 1.0034229** 3.57D-02 9f1 0.3028530 0.0323741 0.9999966** 1.60D-05 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.094338 2 0.198938 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-8.24647E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89798E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70929E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56451E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39215E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47644E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099067 0.3207722 0.9999930 c 1.05D-05 ED = -1.674871; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0012952 142.0774790** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669406 1.0341920 1.0200330** 3.33D-02 9d1 0.1678367 -0.1519364 1.0000009** 1.91D-06 <2ph|9p2>=-1.5D-02 9p2 0.2936698 -0.0245238 0.9997618** 6.54D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035954 -1.1572469 1.1474588** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058711 -0.2016958 1.0002883** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194058 0.3819775 1.0034252** 3.57D-02 9f1 0.3028507 0.0323740 1.0000000** 1.39D-06 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 -0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56450E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47647E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099063 0.3207717 0.9999985 c 1.71D-06 ED = -1.674842; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0012951 142.0757083** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669402 1.0341734 1.0200340** 3.33D-02 9d1 0.1678363 -0.1519363 1.0000001** 1.32D-07 <2ph|9p2>=-1.5D-02 9p2 0.2936693 -0.0245262 0.9997584** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035950 -1.1572727 1.1474587** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058716 -0.2016959 1.0002885** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194052 0.3819772 1.0034255** 3.57D-02 9f1 0.3028499 0.0323740 1.0000001** 4.33D-07 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207717 0.9999998 c 3.46D-07 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0012951 142.0758769** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341763 1.0200338** 3.33D-02 9d1 0.1678366 -0.1519363 1.0000000** 1.41D-08 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245265 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572875 1.1474569** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002886** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819770 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 1.12D-07 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 -0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 7.72D-08 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0012951 142.0758853** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341761 1.0200339** 3.33D-02 9d1 0.1678366 -0.1519363 1.0000000** 7.56D-09 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 9.33D-09 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 1.21D-08 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0012951 142.0758811** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 1.35D-09 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 2.12D-09 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 -0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 1.95D-09 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0012951 142.0758819** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 1.02D-10 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 4.70D-10 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 4.13D-10 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0012951 142.0758821** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 3.06D-11 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 8.94D-11 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 -0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 7.70D-11 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0012951 142.0758820** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 8.35D-12 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 1.09D-11 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 1.26D-11 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0012951 142.0758820** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 9.96D-13 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 2.42D-12 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 -0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 2.41D-12 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0012951 142.0758820** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 1.55D-13 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 5.36D-13 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 4.50D-13 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0012951 142.0758820** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 4.26D-14 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 6.73D-14 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 -0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 7.09D-14 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0012951 142.0758820** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 7.29D-15 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 1.36D-14 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 4.97D-14 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0012951 142.0758820** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 2.13D-15 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 5.38D-15 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 -0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 1.08D-14 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0012951 142.0758820** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 8.70D-16 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 1.65D-15 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-8.24643E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.89797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.70933E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79926E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.66978E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.56449E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.39213E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.47648E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2099062 0.3207716 1.0000000 c 1.31D-14 ED = -1.674844; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0012951 142.0758820** 4.21D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>= 4.9D-02 9s1 0.1669403 1.0341760 1.0200339** 3.33D-02 9d1 0.1678365 -0.1519363 1.0000000** 3.29D-16 <2ph|9p2>=-1.5D-02 9p2 0.2936694 -0.0245264 0.9997586** 6.55D-03 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 6.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.3035953 -1.1572880 1.1474567** 2.74D-01 <3dh|9d2>=-3.7D-02 9d2 0.3058720 -0.2016959 1.0002887** 1.21D-02 <2ph|9p3>=-7.9D-02 9p3 0.3194053 0.3819769 1.0034256** 3.57D-02 9f1 0.3028500 0.0323740 1.0000000** 7.75D-16 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 -0.094339 2 0.198939 3 -0.221935 4 -0.061516 5 -0.041077 6 -0.074180 7 0.046071 8 -0.025220 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.97D-02 *** CALCULATIONS FOR k^2 = 0.5600 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.074034 2 0.192650 3 -0.218270 4 -0.059640 5 -0.041469 6 -0.073337 7 0.045466 8 -0.025063 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-8.44815E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.99508E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.91540E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81685E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.69258E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.55722E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-6.99716E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.52460E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 106points in CSOLVE. End of range: 21.380942759123 au. kpc 0.2077554 0.3147906 0.9813541 c 1.04D-02 ED = -2.079633; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0021917 170.2893938** 4.22D-01 < 2s|9s1>= 2.4D-01 < 1s|9s1>= 2.4D-01 9s1 0.2071792 1.7277779 1.0219412** 2.47D-01 9d1 0.2164551 -0.1486431 1.0105076** 2.41D-02 <2ph|9p2>=-2.3D-01 9p2 0.3315263 -0.0614372 1.0262705** 1.04D-01 < 2s|9s2>=-7.9D-01 <3sh|9s2>= 7.9D-03 < 1s|9s2>=-4.0D-02 9s2 0.3380548 -2.0995595 1.3564255** 3.82D-01 <3dh|9d2>=-6.6D-02 9d2 0.3480578 -0.1985729 1.0072664** 2.77D-02 <2ph|9p3>= 2.7D-02 9p3 0.3599784 0.3929617 1.0150591** 3.08D-02 9f1 0.3565050 0.0324640 1.0046117** 5.41D-02 < 2s|9s1>= 4.3D-07 < 1s|9s1>= 3.2D-07 < 2s|9s2>=-5.2D-07 <3sh|9s2>=-1.0D-07 < 1s|9s2>=-3.9D-07 1 0.087700 2 0.200546 3 -0.225499 4 -0.061121 5 -0.041205 6 -0.074227 7 0.046634 8 -0.025362 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 4.75D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-8.07881E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.97074E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.28273E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79736E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88514E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86417E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.63745E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.69820E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043969 0.3130285 0.9944023 c 1.64D-02 ED = -1.862523; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0021937 144.1233066** 4.23D-01 < 2s|9s1>=-5.4D-02 < 1s|9s1>= 5.1D-02 9s1 0.1865171 1.0100723 1.0236630** 3.99D-02 9d1 0.1871307 -0.1471425 1.0019067** 3.10D-03 <2ph|9p2>= 3.0D-02 9p2 0.3133378 -0.0164385 1.0055345** 1.57D-02 < 2s|9s2>=-3.8D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 3.3D-01 9s2 0.3203277 -1.1014775 1.0818654** 2.14D-01 <3dh|9d2>=-2.8D-02 9d2 0.3244736 -0.1974756 1.0024763** 1.01D-02 <2ph|9p3>=-7.3D-02 9p3 0.3390996 0.3755466 1.0011352** 3.49D-02 9f1 0.3249562 0.0319255 1.0048659** 9.26D-03 < 2s|9s1>=-3.5D-08 < 1s|9s1>=-2.6D-08 < 2s|9s2>=-1.0D-07 <3sh|9s2>=-2.0D-08 < 1s|9s2>=-7.4D-08 1 -0.086672 2 0.201170 3 -0.225744 4 -0.061254 5 -0.041081 6 -0.074192 7 0.046551 8 -0.025499 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.71D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-8.07407E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95988E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33183E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80743E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88228E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87386E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.56083E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72686E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2044122 0.3126187 0.9986911 c 7.50D-05 ED = -1.881045; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0021088 145.8854763** 4.23D-01 < 2s|9s1>=-4.9D-02 < 1s|9s1>= 4.5D-02 9s1 0.1863898 1.0106008 1.0179325** 3.05D-02 9d1 0.1875324 -0.1471814 0.9999322** 1.65D-04 <2ph|9p2>=-4.9D-03 9p2 0.3138055 -0.0228107 0.9991907** 2.42D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3221829 -1.1561210 1.0843213** 2.21D-01 <3dh|9d2>=-3.0D-02 9d2 0.3259043 -0.1977732 0.9996381** 9.87D-03 <2ph|9p3>=-6.7D-02 9p3 0.3375375 0.3771315 1.0023977** 3.04D-02 9f1 0.3229675 0.0318850 1.0002173** 7.21D-04 < 2s|9s1>=-3.3D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 0.085813 2 0.201074 3 -0.225655 4 -0.061189 5 -0.041102 6 -0.074136 7 0.046544 8 -0.025504 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.67D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-8.07370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33193E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80760E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88133E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86906E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57021E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72335E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043618 0.3125485 0.9997751 c 2.47D-04 ED = -1.899141; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0021149 147.3057363** 4.23D-01 < 2s|9s1>=-4.5D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866630 1.0207191 1.0171239** 3.04D-02 9d1 0.1879763 -0.1471788 0.9999988** 2.33D-05 <2ph|9p2>=-5.4D-03 9p2 0.3141779 -0.0228883 0.9999186** 2.41D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3225408 -1.1745607 1.0818909** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263633 -0.1977755 1.0001049** 9.86D-03 <2ph|9p3>=-6.5D-02 9p3 0.3377336 0.3774128 1.0024360** 2.94D-02 9f1 0.3233624 0.0318874 0.9999226** 1.87D-04 < 2s|9s1>=-2.1D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.2D-08 < 1s|9s2>=-1.2D-07 1 -0.085859 2 0.201085 3 -0.225657 4 -0.061195 5 -0.041094 6 -0.074133 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-8.07241E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95970E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33197E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80782E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88212E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57375E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72355E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043428 0.3125367 0.9999623 c 9.29D-05 ED = -1.898476; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0021163 147.2334628** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866408 1.0204632 1.0172517** 3.06D-02 9d1 0.1879597 -0.1471755 1.0000045** 8.78D-06 <2ph|9p2>=-4.7D-03 9p2 0.3141520 -0.0227542 0.9999209** 2.06D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224956 -1.1728042 1.0820810** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263688 -0.1977743 1.0001263** 9.82D-03 <2ph|9p3>=-6.5D-02 9p3 0.3377388 0.3774215 1.0024155** 2.94D-02 9f1 0.3233359 0.0318867 1.0000010** 9.80D-06 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 0.085869 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041093 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-8.07218E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33217E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80780E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88219E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87087E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72377E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043408 0.3125343 0.9999924 c 9.62D-06 ED = -1.898212; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0021162 147.2176699** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866363 1.0203050 1.0172619** 3.06D-02 9d1 0.1879551 -0.1471750 1.0000007** 1.39D-06 <2ph|9p2>=-4.7D-03 9p2 0.3141471 -0.0227621 0.9999021** 2.08D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224910 -1.1728213 1.0820964** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263691 -0.1977748 1.0001258** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377351 0.3774082 1.0024182** 2.94D-02 9f1 0.3233305 0.0318866 1.0000006** 1.83D-06 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 -0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-8.07217E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33220E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57350E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72380E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043405 0.3125339 0.9999986 c 1.84D-06 ED = -1.898215; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0021162 147.2182956** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203070 1.0172618** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 8.32D-08 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227638 0.9999015** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224923 -1.1729030 1.0820872** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263706 -0.1977749 1.0001264** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774075 1.0024187** 2.94D-02 9f1 0.3233305 0.0318866 0.9999999** 3.96D-07 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72380E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043404 0.3125338 0.9999998 c 4.63D-07 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0021162 147.2184335** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203073 1.0172620** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 3.62D-08 <2ph|9p2>=-4.7D-03 9p2 0.3141476 -0.0227637 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729092 1.0820860** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774074 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 6.50D-08 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 -0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 8.27D-08 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0021162 147.2184157** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 8.38D-09 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729090 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 9.90D-09 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 1.31D-08 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0021162 147.2184160** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 1.01D-09 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729092 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 2.05D-09 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 -0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 2.59D-09 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0021162 147.2184166** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 1.89D-10 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729093 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 4.72D-10 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 5.14D-10 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0021162 147.2184165** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 4.65D-11 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729093 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 6.87D-11 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 -0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 9.10D-11 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0021162 147.2184165** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 8.03D-12 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729093 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 1.22D-11 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 1.67D-11 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0021162 147.2184165** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 1.30D-12 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729093 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 2.53D-12 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 -0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 3.20D-12 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0021162 147.2184165** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 2.64D-13 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729093 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 4.70D-13 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 5.85D-13 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0021162 147.2184165** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 5.09D-14 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729093 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 8.27D-14 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 -0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 1.23D-13 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0021162 147.2184165** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 9.52D-15 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729093 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 1.45D-14 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 8.69D-15 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0021162 147.2184165** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 1.53D-15 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729093 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 5.47D-15 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 -0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 2.13D-14 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0021162 147.2184165** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 1.45D-15 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729093 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 1.42D-15 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-8.07216E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-2.95965E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.33221E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.88218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87084E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-7.57351E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.72381E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.2043403 0.3125338 1.0000000 c 7.20D-15 ED = -1.898218; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0021162 147.2184165** 4.23D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 4.8D-02 9s1 0.1866365 1.0203068 1.0172621** 3.06D-02 9d1 0.1879557 -0.1471750 1.0000000** 5.35D-16 <2ph|9p2>=-4.7D-03 9p2 0.3141475 -0.0227636 0.9999018** 2.09D-03 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 5.9D-02 < 1s|9s2>= 3.1D-01 9s2 0.3224924 -1.1729093 1.0820859** 2.20D-01 <3dh|9d2>=-3.0D-02 9d2 0.3263708 -0.1977749 1.0001266** 9.82D-03 <2ph|9p3>=-6.6D-02 9p3 0.3377353 0.3774073 1.0024188** 2.94D-02 9f1 0.3233305 0.0318866 1.0000000** 1.79D-15 < 2s|9s1>=-2.2D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.1D-08 < 1s|9s2>=-1.2D-07 1 -0.085868 2 0.201089 3 -0.225658 4 -0.061196 5 -0.041094 6 -0.074132 7 0.046545 8 -0.025502 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.63D-02 *** CALCULATIONS FOR k^2 = 0.5400 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.070624 2 0.194846 3 -0.221922 4 -0.059423 5 -0.041187 6 -0.073310 7 0.045899 8 -0.025352 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-8.26550E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.05748E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.54658E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.82567E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-2.92872E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.90271E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.15867E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.78868E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 106points in CSOLVE. End of range: 21.380942759123 au. kpc 0.2016655 0.3062493 0.9798920 c 1.33D-02 ED = -2.161785; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0032952 152.0060305** 4.24D-01 < 2s|9s1>= 2.4D-01 < 1s|9s1>= 2.6D-01 9s1 0.2254068 1.7311534 1.0313720** 2.58D-01 9d1 0.2355666 -0.1438587 1.0106465** 2.43D-02 <2ph|9p2>=-2.1D-01 9p2 0.3490312 -0.0586955 1.0224151** 9.50D-02 < 2s|9s2>=-7.7D-01 <3sh|9s2>= 9.9D-03 < 1s|9s2>=-1.2D-01 9s2 0.3549725 -2.1907003 1.3512300** 4.11D-01 <3dh|9d2>=-6.2D-02 9d2 0.3667370 -0.1946744 1.0067904** 2.60D-02 <2ph|9p3>= 3.6D-02 9p3 0.3783054 0.3872919 1.0147738** 3.38D-02 9f1 0.3770536 0.0318834 1.0053953** 5.52D-02 < 2s|9s1>= 4.3D-07 < 1s|9s1>= 3.2D-07 < 2s|9s2>=-5.4D-07 <3sh|9s2>=-1.1D-07 < 1s|9s2>=-4.0D-07 1 0.089374 2 0.203106 3 -0.229311 4 -0.060792 5 -0.040812 6 -0.074063 7 0.047065 8 -0.025740 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 5.02D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-7.87522E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02791E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-5.96302E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79831E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13074E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.24888E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.83212E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.97767E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1960175 0.3045773 0.9945403 c 2.88D-02 ED = -1.950161; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0033096 120.1500934** 4.24D-01 < 2s|9s1>=-5.1D-02 < 1s|9s1>= 6.0D-02 9s1 0.2051385 1.0054019 1.0217184** 4.19D-02 9d1 0.2065995 -0.1424147 1.0019139** 3.39D-03 <2ph|9p2>= 3.0D-02 9p2 0.3311693 -0.0166389 1.0049602** 1.58D-02 < 2s|9s2>=-3.4D-01 <3sh|9s2>= 6.2D-02 < 1s|9s2>= 2.9D-01 9s2 0.3378509 -1.1054866 1.0537090** 1.82D-01 <3dh|9d2>=-2.5D-02 9d2 0.3445930 -0.1937897 1.0020964** 9.07D-03 <2ph|9p3>=-6.3D-02 9p3 0.3568244 0.3706249 1.0009081** 3.02D-02 9f1 0.3416074 0.0313422 1.0047830** 8.86D-03 < 2s|9s1>=-1.5D-08 < 1s|9s1>=-1.1D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.2D-08 1 -0.088753 2 0.203537 3 -0.229683 4 -0.060931 5 -0.040623 6 -0.074033 7 0.047003 8 -0.025895 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.79D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-7.88041E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02110E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00520E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81003E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13943E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27488E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.77742E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00674E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1960009 0.3041995 0.9987595 c 8.49D-05 ED = -1.963258; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0032077 121.0458638** 4.24D-01 < 2s|9s1>=-4.9D-02 < 1s|9s1>= 5.2D-02 9s1 0.2047740 0.9978903 1.0182865** 3.29D-02 9d1 0.2065668 -0.1424238 0.9999600** 1.10D-04 <2ph|9p2>= 7.7D-03 9p2 0.3315010 -0.0208344 0.9997372** 3.30D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.8D-01 9s2 0.3401690 -1.1510930 1.0559925** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3457264 -0.1940327 0.9996572** 8.60D-03 <2ph|9p3>=-6.0D-02 9p3 0.3553873 0.3714849 1.0019757** 2.72D-02 9f1 0.3387641 0.0312874 1.0003248** 6.97D-04 < 2s|9s1>=-2.1D-08 < 1s|9s1>=-1.6D-08 < 2s|9s2>=-1.3D-07 <3sh|9s2>=-2.7D-08 < 1s|9s2>=-1.0D-07 1 0.087933 2 0.203458 3 -0.229612 4 -0.060883 5 -0.040640 6 -0.073987 7 0.046998 8 -0.025902 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.77D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-7.88046E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02106E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00513E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81045E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13815E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27076E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78505E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00356E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959754 0.3041172 0.9997295 c 1.30D-04 ED = -1.980559; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0032134 122.1385866** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.4D-02 9s1 0.2049963 1.0053689 1.0176056** 3.27D-02 9d1 0.2069024 -0.1424163 1.0000032** 2.08D-05 <2ph|9p2>= 6.7D-03 9p2 0.3318211 -0.0210035 1.0001963** 2.97D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404600 -1.1664933 1.0543356** 1.87D-01 <3dh|9d2>=-2.6D-02 9d2 0.3460528 -0.1940253 1.0000517** 8.64D-03 <2ph|9p3>=-5.9D-02 9p3 0.3554898 0.3717326 1.0020146** 2.63D-02 9f1 0.3390923 0.0312877 0.9999443** 1.39D-04 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.6D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 -0.087966 2 0.203465 3 -0.229608 4 -0.060885 5 -0.040633 6 -0.073983 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-7.87912E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02087E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00525E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81063E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13883E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27231E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78793E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00365E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959525 0.3041040 0.9999567 c 1.17D-04 ED = -1.980237; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0032150 122.0968990** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049947 1.0059957 1.0176487** 3.29D-02 9d1 0.2069218 -0.1424147 1.0000023** 4.82D-06 <2ph|9p2>= 7.2D-03 9p2 0.3318175 -0.0209258 1.0001991** 3.17D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404428 -1.1661857 1.0544592** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3460986 -0.1940270 1.0000534** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555142 0.3717685 1.0019958** 2.63D-02 9f1 0.3391054 0.0312876 0.9999953** 2.21D-05 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.2D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 0.087976 2 0.203469 3 -0.229609 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-7.87889E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00544E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81060E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27236E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78794E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00388E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959496 0.3041018 0.9999928 c 1.48D-05 ED = -1.979982; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0032151 122.0842925** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049910 1.0058904 1.0176635** 3.29D-02 9d1 0.2069187 -0.1424142 1.0000008** 1.76D-06 <2ph|9p2>= 7.2D-03 9p2 0.3318137 -0.0209237 1.0001904** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404399 -1.1662516 1.0544632** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461016 -0.1940273 1.0000577** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555138 0.3717533 1.0019985** 2.63D-02 9f1 0.3391010 0.0312875 1.0000002** 1.90D-06 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 -0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78794E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00392E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959491 0.3041014 0.9999986 c 2.48D-06 ED = -1.979963; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0032151 122.0834526** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049905 1.0058600 1.0176660** 3.29D-02 9d1 0.2069179 -0.1424141 1.0000001** 2.75D-07 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404400 -1.1662900 1.0544571** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461017 -0.1940274 1.0000583** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555132 0.3717516 1.0019991** 2.63D-02 9f1 0.3390994 0.0312875 1.0000002** 3.43D-07 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 0.9999997 c 5.24D-07 ED = -1.979965; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0032151 122.0835422** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 3.77D-08 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209243 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662971 1.0544558** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000583** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555132 0.3717515 1.0019991** 2.63D-02 9f1 0.3390993 0.0312874 1.0000000** 5.58D-08 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 -0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 0.9999999 c 1.06D-07 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0032151 122.0835602** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 6.93D-09 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662979 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 1.23D-08 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 2.00D-08 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0032151 122.0835596** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 1.49D-09 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662980 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 2.59D-09 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 -0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 3.39D-09 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0032151 122.0835588** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 2.91D-10 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662981 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 4.10D-10 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 8.97D-10 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0032151 122.0835590** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 6.61D-11 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662981 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 9.32D-11 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 -0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 8.16D-11 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0032151 122.0835588** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 5.82D-11 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662981 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 7.37D-11 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 2.39D-10 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0032151 122.0835590** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 5.82D-11 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662981 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 7.37D-11 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 -0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 2.09D-10 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0032151 122.0835588** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 5.82D-11 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662981 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 7.37D-11 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 2.14D-10 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0032151 122.0835590** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 5.82D-11 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662981 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 7.37D-11 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 -0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 2.13D-10 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0032151 122.0835588** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 5.82D-11 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662981 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 7.37D-11 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 2.13D-10 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0032151 122.0835590** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 5.82D-11 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662981 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 7.37D-11 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 -0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 2.13D-10 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0032151 122.0835588** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 5.82D-11 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662981 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 7.37D-11 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-7.87887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.02084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.00548E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.13894E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.27234E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.78795E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.00393E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1959490 0.3041013 1.0000000 c 2.13D-10 ED = -1.979966; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0032151 122.0835590** 4.24D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>= 5.5D-02 9s1 0.2049904 1.0058581 1.0176662** 3.29D-02 9d1 0.2069179 -0.1424140 1.0000000** 5.82D-11 <2ph|9p2>= 7.2D-03 9p2 0.3318133 -0.0209242 1.0001892** 3.18D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-02 < 1s|9s2>= 2.7D-01 9s2 0.3404402 -1.1662981 1.0544557** 1.88D-01 <3dh|9d2>=-2.6D-02 9d2 0.3461019 -0.1940274 1.0000584** 8.61D-03 <2ph|9p3>=-5.9D-02 9p3 0.3555131 0.3717515 1.0019991** 2.63D-02 9f1 0.3390992 0.0312874 1.0000000** 7.37D-11 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-1.4D-07 <3sh|9s2>=-2.9D-08 < 1s|9s2>=-1.1D-07 1 -0.087976 2 0.203469 3 -0.229610 4 -0.060886 5 -0.040632 6 -0.073982 7 0.046997 8 -0.025901 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 3.73D-02 *** CALCULATIONS FOR k^2 = 0.5200 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.074857 2 0.197199 3 -0.225782 4 -0.059172 5 -0.040580 6 -0.073182 7 0.046327 8 -0.025749 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-8.06572E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.12014E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.23224E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.82900E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.19840E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.32607E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.37703E-02 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.08195E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 105points in CSOLVE. End of range: 22.759895093527 au. kpc 0.1933238 0.2957826 0.9726451 c 1.36D-02 ED = -2.720109; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035809 215.3103866** 4.09D-01 < 2s|9s1>= 2.1D-01 < 1s|9s1>= 2.2D-01 9s1 0.2397262 1.6134364 1.0233086** 2.23D-01 9d1 0.2480958 -0.1384977 1.0120382** 2.44D-02 <2ph|9p2>=-1.7D-01 9p2 0.3628929 -0.0527249 1.0163350** 7.89D-02 < 2s|9s2>=-5.9D-01 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 1.1D-01 9s2 0.3644267 -1.7482221 1.1264609** 2.58D-01 <3dh|9d2>=-5.4D-02 9d2 0.3775079 -0.1900107 1.0081970** 2.39D-02 <2ph|9p3>= 3.9D-02 9p3 0.3922998 0.3809282 1.0138863** 3.39D-02 9f1 0.3894433 0.0309586 1.0083016** 5.45D-02 < 2s|9s1>= 4.0D-07 < 1s|9s1>= 2.9D-07 < 2s|9s2>=-4.4D-07 <3sh|9s2>=-8.8D-08 < 1s|9s2>=-3.2D-07 1 0.062275 2 0.203680 3 -0.232330 4 -0.059569 5 -0.040536 6 -0.073618 7 0.047168 8 -0.026107 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 4.40D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-7.70192E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09810E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.63046E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83767E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.31918E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.49171E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00499E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.36168E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1954310 0.2942612 0.9948564 c 1.08D-02 ED = -2.697369; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0036093 257.5471795** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 4.6D-02 9s1 0.2273402 0.9948653 1.0109424** 2.93D-02 9d1 0.2275153 -0.1374026 1.0012827** 2.12D-03 <2ph|9p2>= 7.9D-03 9p2 0.3587331 -0.0193802 1.0016818** 4.63D-03 < 2s|9s2>=-2.4D-01 <3sh|9s2>= 3.6D-02 < 1s|9s2>= 2.1D-01 9s2 0.3637956 -1.1616524 1.0091150** 1.23D-01 <3dh|9d2>=-1.8D-02 9d2 0.3654536 -0.1895128 1.0013749** 6.77D-03 <2ph|9p3>=-4.8D-02 9p3 0.3760657 0.3658134 0.9996146** 2.28D-02 9f1 0.3650297 0.0305852 1.0026912** 5.64D-03 < 2s|9s1>= 5.5D-09 < 1s|9s1>= 4.1D-09 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 -0.062247 2 0.203702 3 -0.232731 4 -0.059650 5 -0.040174 6 -0.073633 7 0.047098 8 -0.026222 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.55D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-7.71919E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09875E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66080E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85632E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34616E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56707E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00855E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39763E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1952690 0.2939437 0.9989210 c 8.30D-04 ED = -2.705543; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035589 257.7484067** 4.09D-01 < 2s|9s1>=-3.1D-02 < 1s|9s1>= 3.8D-02 9s1 0.2268046 0.9828660 1.0112166** 2.24D-02 9d1 0.2270639 -0.1373579 1.0000310** 7.93D-05 <2ph|9p2>= 4.0D-03 9p2 0.3587741 -0.0201737 0.9999179** 1.69D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660951 -1.1607203 1.0152260** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659178 -0.1896081 0.9997467** 5.88D-03 <2ph|9p3>=-4.5D-02 9p3 0.3753020 0.3665090 1.0012461** 2.01D-02 9f1 0.3621548 0.0305287 1.0003415** 7.16D-04 < 2s|9s1>=-5.6D-09 < 1s|9s1>=-4.2D-09 < 2s|9s2>=-8.9D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.6D-08 1 0.061885 2 0.203720 3 -0.232725 4 -0.059639 5 -0.040173 6 -0.073612 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.55D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-7.71702E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09820E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66186E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85705E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34742E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56730E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00816E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39679E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951937 0.2938656 0.9997342 c 3.86D-04 ED = -2.720675; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0035616 259.2373720** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.8D-02 9s1 0.2268469 0.9841730 1.0109388** 2.23D-02 9d1 0.2271331 -0.1373423 1.0000198** 4.50D-05 <2ph|9p2>= 3.4D-03 9p2 0.3588441 -0.0203258 1.0001324** 1.49D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660420 -1.1652392 1.0152517** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659556 -0.1895927 0.9999680** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752533 0.3665582 1.0012292** 1.99D-02 9f1 0.3622067 0.0305265 0.9999852** 8.00D-05 < 2s|9s1>=-4.1D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.8D-08 1 -0.061896 2 0.203729 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073609 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-7.71599E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09804E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66218E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85702E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34765E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56785E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00837E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39720E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951770 0.2938503 0.9999478 c 8.53D-05 ED = -2.720312; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035620 259.1942398** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268364 0.9842302 1.0109722** 2.24D-02 9d1 0.2271312 -0.1373399 1.0000029** 5.57D-06 <2ph|9p2>= 3.6D-03 9p2 0.3588352 -0.0202898 1.0000872** 1.58D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660326 -1.1651702 1.0152282** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659800 -0.1895932 0.9999568** 5.91D-03 <2ph|9p3>=-4.4D-02 9p3 0.3752477 0.3665875 1.0012235** 1.99D-02 9f1 0.3621730 0.0305254 1.0000019** 1.23D-05 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.8D-08 1 0.061897 2 0.203730 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-7.71583E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66236E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85701E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34773E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39739E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951743 0.2938476 0.9999908 c 1.41D-05 ED = -2.720244; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0035621 259.1903826** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268367 0.9842633 1.0109760** 2.25D-02 9d1 0.2271337 -0.1373395 1.0000004** 1.02D-06 <2ph|9p2>= 3.6D-03 9p2 0.3588368 -0.0202899 1.0000856** 1.58D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660382 -1.1655356 1.0152097** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659891 -0.1895937 0.9999578** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752505 0.3665799 1.0012249** 1.99D-02 9f1 0.3621735 0.0305253 0.9999997** 2.80D-06 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 -0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-7.71580E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66239E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951737 0.2938471 0.9999983 c 2.95D-06 ED = -2.720236; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035621 259.1898936** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268366 0.9842560 1.0109776** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000001** 2.48D-07 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202895 1.0000852** 1.58D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660388 -1.1655865 1.0152047** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659902 -0.1895937 0.9999588** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752507 0.3665787 1.0012251** 1.99D-02 9f1 0.3621731 0.0305253 1.0000000** 4.26D-07 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-7.71580E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938470 0.9999997 c 5.61D-07 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0035621 259.1897724** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842537 1.0109779** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 4.89D-08 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655930 1.0152040** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999588** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621730 0.0305253 1.0000000** 6.49D-08 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 -0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-7.71580E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 0.9999999 c 1.06D-07 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035621 259.1897785** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842535 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 8.30D-09 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655946 1.0152039** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999588** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 1.40D-08 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 2.07D-08 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0035621 259.1897801** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 1.67D-09 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655949 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 2.89D-09 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 -0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 4.01D-09 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035621 259.1897798** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 3.34D-10 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655949 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 5.38D-10 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 7.66D-10 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0035621 259.1897798** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 6.18D-11 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655950 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 1.04D-10 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 -0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 1.48D-10 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035621 259.1897798** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 1.19D-11 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655950 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 2.04D-11 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 2.86D-11 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0035621 259.1897798** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 2.35D-12 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655950 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 3.87D-12 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 -0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 5.56D-12 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035621 259.1897798** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 4.53D-13 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655950 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 7.46D-13 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 1.08D-12 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0035621 259.1897798** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 8.63D-14 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655950 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 1.46D-13 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 -0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 2.02D-13 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035621 259.1897798** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 1.67D-14 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655950 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 2.78D-14 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 3.77D-14 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0035621 259.1897798** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 2.78D-15 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655950 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 4.52D-15 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 -0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 6.12D-15 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0035621 259.1897798** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 3.68D-16 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655950 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 3.07D-16 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-7.71579E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.09802E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.66240E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85700E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.56789E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.00838E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.39743E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1951736 0.2938469 1.0000000 c 2.99D-15 ED = -2.720234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0035621 259.1897798** 4.09D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 3.9D-02 9s1 0.2268365 0.9842534 1.0109780** 2.25D-02 9d1 0.2271337 -0.1373394 1.0000000** 3.21D-16 <2ph|9p2>= 3.6D-03 9p2 0.3588369 -0.0202894 1.0000851** 1.59D-03 < 2s|9s2>=-2.5D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>= 2.1D-01 9s2 0.3660389 -1.1655950 1.0152038** 1.30D-01 <3dh|9d2>=-1.8D-02 9d2 0.3659904 -0.1895937 0.9999589** 5.91D-03 <2ph|9p3>=-4.5D-02 9p3 0.3752506 0.3665784 1.0012252** 1.99D-02 9f1 0.3621729 0.0305253 1.0000000** 9.07D-16 < 2s|9s1>=-4.0D-09 < 1s|9s1>=-3.0D-09 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 -0.061897 2 0.203731 3 -0.232729 4 -0.059642 5 -0.040170 6 -0.073608 7 0.047098 8 -0.026230 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.53D-02 *** CALCULATIONS FOR k^2 = 0.5000 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.053451 2 0.197607 3 -0.228843 4 -0.058069 5 -0.039937 6 -0.072824 7 0.046420 8 -0.026093 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-7.89173E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.19757E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-6.89750E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87353E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.42829E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.65004E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.06678E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.48891E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 105points in CSOLVE. End of range: 22.759895093527 au. kpc 0.1922254 0.2874382 0.9781903 c 1.53D-02 ED = -3.116809; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0045107 290.7106850** 4.10D-01 < 2s|9s1>= 2.7D-01 < 1s|9s1>= 3.1D-01 9s1 0.2644615 1.7794538 1.0583745** 2.97D-01 9d1 0.2752017 -0.1340063 1.0107725** 2.43D-02 <2ph|9p2>=-1.8D-01 9p2 0.3905549 -0.0542332 1.0183382** 8.48D-02 < 2s|9s2>=-6.9D-01 <3sh|9s2>=-7.6D-05 < 1s|9s2>=-2.2D-01 9s2 0.3960600 -2.2883589 1.2744975** 4.34D-01 <3dh|9d2>=-5.4D-02 9d2 0.4050002 -0.1865401 1.0060158** 2.34D-02 <2ph|9p3>= 6.2D-02 9p3 0.4176264 0.3771741 1.0146516** 4.32D-02 9f1 0.4220340 0.0303318 1.0072059** 5.74D-02 < 2s|9s1>= 4.5D-07 < 1s|9s1>= 3.3D-07 < 2s|9s2>=-5.6D-07 <3sh|9s2>=-1.1D-07 < 1s|9s2>=-4.2D-07 1 0.061075 2 0.205651 3 -0.236575 4 -0.058919 5 -0.039876 6 -0.073437 7 0.047566 8 -0.026603 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 5.87D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-7.50305E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17466E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.40419E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.84824E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.58951E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.94160E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14588E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.75379E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1891035 0.2855215 0.9933319 c 1.65D-02 ED = -2.854762; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0045327 254.7176628** 4.11D-01 < 2s|9s1>=-3.7D-02 < 1s|9s1>= 3.9D-02 9s1 0.2460749 0.9490799 1.0119692** 3.20D-02 9d1 0.2459398 -0.1325121 1.0020160** 3.63D-03 <2ph|9p2>= 1.7D-02 9p2 0.3771470 -0.0174624 1.0030118** 9.48D-03 < 2s|9s2>=-1.7D-01 <3sh|9s2>= 3.6D-02 < 1s|9s2>= 2.2D-01 9s2 0.3802070 -1.0314966 1.0099914** 1.03D-01 <3dh|9d2>=-1.5D-02 9d2 0.3833649 -0.1855286 1.0022457** 6.87D-03 <2ph|9p3>=-4.6D-02 9p3 0.3941232 0.3588634 1.0002769** 2.19D-02 9f1 0.3827754 0.0298046 1.0040445** 7.75D-03 < 2s|9s1>=-1.7D-08 < 1s|9s1>=-1.3D-08 < 2s|9s2>= 4.2D-08 <3sh|9s2>= 8.5D-09 < 1s|9s2>= 3.1D-08 1 -0.060791 2 0.205377 3 -0.236874 4 -0.058965 5 -0.039459 6 -0.073387 7 0.047441 8 -0.026731 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.51D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-7.52981E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17631E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42794E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86748E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62014E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01625E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14559E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79533E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1890751 0.2851726 0.9987778 c 1.50D-04 ED = -2.865010; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0044635 255.9333529** 4.11D-01 < 2s|9s1>=-3.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.2463613 0.9623394 1.0107203** 2.27D-02 9d1 0.2467438 -0.1325521 0.9998925** 2.43D-04 <2ph|9p2>= 8.1D-03 9p2 0.3783923 -0.0190217 0.9998604** 3.51D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.4D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853096 -1.1338054 1.0091195** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3857728 -0.1857869 0.9995029** 5.08D-03 <2ph|9p3>=-4.1D-02 9p3 0.3945901 0.3600014 1.0010052** 1.84D-02 9f1 0.3812074 0.0297678 1.0001917** 4.35D-04 < 2s|9s1>=-1.5D-09 < 1s|9s1>=-1.1D-09 < 2s|9s2>=-6.2D-08 <3sh|9s2>=-1.3D-08 < 1s|9s2>=-4.6D-08 1 0.060383 2 0.205335 3 -0.236818 4 -0.058938 5 -0.039462 6 -0.073349 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.50D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-7.52862E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17633E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42795E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86779E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62104E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01490E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14631E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79456E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889890 0.2850976 0.9997373 c 4.56D-04 ED = -2.883859; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0044692 257.6301249** 4.11D-01 < 2s|9s1>=-2.8D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464894 0.9677630 1.0104878** 2.30D-02 9d1 0.2469546 -0.1325374 1.0000178** 4.60D-05 <2ph|9p2>= 8.1D-03 9p2 0.3785805 -0.0190412 1.0002559** 3.61D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3854257 -1.1450579 1.0087196** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859759 -0.1857711 0.9999459** 5.13D-03 <2ph|9p3>=-4.1D-02 9p3 0.3947152 0.3599427 1.0010973** 1.83D-02 9f1 0.3815213 0.0297685 0.9999567** 1.27D-04 < 2s|9s1>= 4.4D-09 < 1s|9s1>= 3.3D-09 < 2s|9s2>=-7.1D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.3D-08 1 -0.060412 2 0.205355 3 -0.236826 4 -0.058942 5 -0.039460 6 -0.073347 7 0.047436 8 -0.026733 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-7.52719E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17611E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42860E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86773E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62138E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01559E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14650E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79514E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889681 0.2850814 0.9999431 c 1.11D-04 ED = -2.882744; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0044698 257.5112514** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464619 0.9669801 1.0105460** 2.31D-02 9d1 0.2469220 -0.1325333 1.0000056** 1.07D-05 <2ph|9p2>= 8.4D-03 9p2 0.3785490 -0.0189946 1.0002224** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853630 -1.1433362 1.0088049** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859658 -0.1857692 0.9999443** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946873 0.3599483 1.0010865** 1.84D-02 9f1 0.3814585 0.0297671 1.0000046** 1.16D-05 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-7.52705E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42880E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86771E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62146E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01563E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14650E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79538E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889652 0.2850785 0.9999897 c 1.53D-05 ED = -2.882618; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0044698 257.5031845** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9670015 1.0105512** 2.31D-02 9d1 0.2469239 -0.1325330 1.0000004** 7.89D-07 <2ph|9p2>= 8.4D-03 9p2 0.3785510 -0.0189955 1.0002163** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853728 -1.1438144 1.0087744** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859760 -0.1857699 0.9999411** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946900 0.3599419 1.0010875** 1.84D-02 9f1 0.3814559 0.0297670 1.0000002** 2.26D-06 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42883E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86771E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79542E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889646 0.2850779 0.9999981 c 3.49D-06 ED = -2.882625; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0044699 257.5039562** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464622 0.9670026 1.0105526** 2.31D-02 9d1 0.2469242 -0.1325329 1.0000001** 2.71D-07 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189950 1.0002165** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438922 1.0087682** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859775 -0.1857699 0.9999422** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946905 0.3599404 1.0010878** 1.84D-02 9f1 0.3814558 0.0297670 1.0000000** 5.06D-07 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42883E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79542E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 0.9999996 c 7.20D-07 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0044699 257.5037091** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669986 1.0105530** 2.31D-02 9d1 0.2469241 -0.1325329 1.0000000** 6.70D-08 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438959 1.0087676** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859776 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599402 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 6.85D-08 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42883E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 0.9999999 c 1.31D-07 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0044699 257.5036896** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105530** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 9.95D-09 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438977 1.0087675** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599402 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 1.40D-08 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 2.63D-08 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0044699 257.5036914** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 1.97D-09 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438981 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599402 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 3.38D-09 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 5.31D-09 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0044699 257.5036908** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 4.37D-10 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438982 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599401 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 6.35D-10 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 1.03D-09 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0044699 257.5036906** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 8.18D-11 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438982 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599401 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 1.19D-10 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 2.01D-10 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0044699 257.5036906** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 1.57D-11 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438982 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599401 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 2.41D-11 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 4.00D-11 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0044699 257.5036906** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 3.20D-12 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438982 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599401 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 4.75D-12 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 7.83D-12 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0044699 257.5036906** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 6.26D-13 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438982 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599401 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 9.21D-13 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 1.55D-12 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0044699 257.5036906** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 1.23D-13 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438982 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599401 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 1.81D-13 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 2.83D-13 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0044699 257.5036906** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 2.24D-14 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438982 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599401 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 3.57D-14 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 7.87D-14 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0044699 257.5036906** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 4.95D-15 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438982 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599401 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 8.42D-15 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 0.00D+00 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0044699 257.5036906** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 7.10D-16 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438982 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599401 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 1.31D-15 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-7.52703E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.17610E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.42884E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.86770E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.62147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.01562E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.14651E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.79543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1889644 0.2850778 1.0000000 c 1.92D-14 ED = -2.882623; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0044699 257.5036906** 4.11D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 4.2D-02 9s1 0.2464621 0.9669982 1.0105531** 2.31D-02 9d1 0.2469241 -0.1325328 1.0000000** 9.45D-16 <2ph|9p2>= 8.4D-03 9p2 0.3785514 -0.0189949 1.0002164** 3.73D-03 < 2s|9s2>=-2.1D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 1.9D-01 9s2 0.3853742 -1.1438982 1.0087674** 1.13D-01 <3dh|9d2>=-1.6D-02 9d2 0.3859777 -0.1857699 0.9999423** 5.11D-03 <2ph|9p3>=-4.1D-02 9p3 0.3946904 0.3599401 1.0010879** 1.84D-02 9f1 0.3814555 0.0297670 1.0000000** 2.02D-15 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.060414 2 0.205355 3 -0.236827 4 -0.058942 5 -0.039459 6 -0.073346 7 0.047436 8 -0.026734 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.48D-02 *** CALCULATIONS FOR k^2 = 0.4800 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.053080 2 0.199234 3 -0.232846 4 -0.057428 5 -0.039176 6 -0.072579 7 0.046752 8 -0.026596 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-7.69591E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.27735E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-7.67867E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.88398E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.71027E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.11016E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20676E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.89822E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 105points in CSOLVE. End of range: 22.759895093527 au. kpc 0.1854614 0.2784602 0.9767865 c 1.89D-02 ED = -3.081646; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0060118 251.0081074** 4.12D-01 < 2s|9s1>= 2.8D-01 < 1s|9s1>= 3.5D-01 9s1 0.2826115 1.8020416 1.0767912** 3.16D-01 9d1 0.2943433 -0.1292130 1.0108127** 2.47D-02 <2ph|9p2>=-1.7D-01 9p2 0.4074359 -0.0526691 1.0167912** 8.04D-02 < 2s|9s2>=-6.9D-01 <3sh|9s2>= 3.8D-03 < 1s|9s2>=-2.8D-01 9s2 0.4136722 -2.3504870 1.3204750** 4.62D-01 <3dh|9d2>=-5.2D-02 9d2 0.4232463 -0.1827421 1.0056968** 2.27D-02 <2ph|9p3>= 6.7D-02 9p3 0.4364285 0.3710769 1.0143746** 4.46D-02 9f1 0.4426892 0.0294877 1.0080804** 5.79D-02 < 2s|9s1>= 4.5D-07 < 1s|9s1>= 3.4D-07 < 2s|9s2>=-5.7D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.3D-07 1 0.066484 2 0.207416 3 -0.240754 4 -0.058141 5 -0.038953 6 -0.073057 7 0.047853 8 -0.027208 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.30D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-7.29169E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25333E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.25578E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.85153E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.88643E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.45963E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29226E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.19582E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1801806 0.2766426 0.9934730 c 2.93D-02 ED = -2.798343; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0060648 200.4389048** 4.12D-01 < 2s|9s1>=-3.6D-02 < 1s|9s1>= 5.7D-02 9s1 0.2648597 0.9516624 1.0122571** 3.73D-02 9d1 0.2654605 -0.1277627 1.0020471** 3.85D-03 <2ph|9p2>= 2.1D-02 9p2 0.3946900 -0.0162831 1.0029018** 1.11D-02 < 2s|9s2>=-1.5D-01 <3sh|9s2>= 3.9D-02 < 1s|9s2>= 2.0D-01 9s2 0.3977230 -1.0157260 1.0077538** 9.74D-02 <3dh|9d2>=-1.4D-02 9d2 0.4031691 -0.1819317 1.0019754** 6.49D-03 <2ph|9p3>=-4.4D-02 9p3 0.4133627 0.3525039 1.0005077** 2.08D-02 9f1 0.4003017 0.0289675 1.0038384** 7.25D-03 < 2s|9s1>= 9.6D-09 < 1s|9s1>= 7.2D-09 < 2s|9s2>= 4.9D-08 <3sh|9s2>= 1.0D-08 < 1s|9s2>= 3.7D-08 1 -0.066468 2 0.207037 3 -0.241194 4 -0.058185 5 -0.038518 6 -0.073006 7 0.047741 8 -0.027350 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.93D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-7.32560E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25848E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27622E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87143E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92627E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54708E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29365E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24543E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1801255 0.2763206 0.9988359 c 3.06D-04 ED = -2.797910; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0059779 200.5109784** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649220 0.9530864 1.0125371** 2.85D-02 9d1 0.2658102 -0.1277795 0.9999174** 1.94D-04 <2ph|9p2>= 1.8D-02 9p2 0.3959298 -0.0166669 1.0002886** 7.96D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.8D-01 9s2 0.4035442 -1.1153245 1.0064646** 1.02D-01 <3dh|9d2>=-1.4D-02 9d2 0.4053738 -0.1821558 0.9995607** 4.64D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138800 0.3528543 1.0010951** 1.90D-02 9f1 0.3978062 0.0289214 1.0002592** 5.88D-04 < 2s|9s1>= 1.2D-08 < 1s|9s1>= 9.1D-09 < 2s|9s2>=-5.4D-08 <3sh|9s2>=-1.1D-08 < 1s|9s2>=-4.0D-08 1 0.066041 2 0.207003 3 -0.241161 4 -0.058166 5 -0.038524 6 -0.072978 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.74D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-7.32526E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25870E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27610E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87188E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92671E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54571E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29432E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24518E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800483 0.2762361 0.9996943 c 4.28D-04 ED = -2.815261; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0059834 201.7669240** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649969 0.9549403 1.0124058** 2.84D-02 9d1 0.2659113 -0.1277594 1.0000233** 5.30D-05 <2ph|9p2>= 1.8D-02 9p2 0.3960643 -0.0167020 1.0005906** 8.09D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035937 -1.1219287 1.0062844** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054323 -0.1821287 0.9999555** 4.73D-03 <2ph|9p3>=-4.3D-02 9p3 0.4139039 0.3527784 1.0011902** 1.90D-02 9f1 0.3980106 0.0289199 0.9999766** 8.59D-05 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.066065 2 0.207018 3 -0.241167 4 -0.058169 5 -0.038521 6 -0.072976 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-7.32391E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25846E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27674E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87184E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92708E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54650E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29447E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24564E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800232 0.2762185 0.9999360 c 1.40D-04 ED = -2.814646; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0059842 201.6959757** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649827 0.9548804 1.0124289** 2.85D-02 9d1 0.2659019 -0.1277563 1.0000042** 8.33D-06 <2ph|9p2>= 1.8D-02 9p2 0.3960483 -0.0166741 1.0005590** 8.16D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035563 -1.1212784 1.0063372** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054489 -0.1821284 0.9999347** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138917 0.3528052 1.0011780** 1.90D-02 9f1 0.3979717 0.0289187 1.0000023** 1.76D-05 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.8D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.3D-08 1 0.066067 2 0.207019 3 -0.241167 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-7.32374E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27695E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92718E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29449E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24590E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800194 0.2762154 0.9999887 c 2.13D-05 ED = -2.814539; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0059843 201.6894898** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649832 0.9549352 1.0124363** 2.86D-02 9d1 0.2659042 -0.1277558 1.0000005** 1.20D-06 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166718 1.0005562** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035662 -1.1218235 1.0063047** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054606 -0.1821289 0.9999344** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527971 1.0011794** 1.90D-02 9f1 0.3979687 0.0289186 1.0000001** 3.03D-06 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.066067 2 0.207019 3 -0.241167 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-7.32371E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27699E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54654E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24595E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800185 0.2762147 0.9999978 c 4.62D-06 ED = -2.814528; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0059843 201.6886664** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649829 0.9549158 1.0124386** 2.86D-02 9d1 0.2659038 -0.1277557 1.0000002** 3.94D-07 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166709 1.0005562** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035669 -1.1218859 1.0062990** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054617 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527951 1.0011798** 1.90D-02 9f1 0.3979674 0.0289185 1.0000001** 4.46D-07 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 0.066067 2 0.207019 3 -0.241167 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54654E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800184 0.2762146 0.9999995 c 9.36D-07 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0059843 201.6884068** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549105 1.0124391** 2.86D-02 9d1 0.2659037 -0.1277556 1.0000000** 7.52D-08 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218927 1.0062982** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011798** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 6.50D-08 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 0.9999999 c 1.80D-07 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0059843 201.6883939** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549100 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 1.27D-08 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218949 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011798** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 1.55D-08 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 3.73D-08 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0059843 201.6883916** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 2.68D-09 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218953 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 3.71D-09 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 7.57D-09 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0059843 201.6883904** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 5.57D-10 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218954 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 7.38D-10 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 1.50D-09 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0059843 201.6883902** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 1.11D-10 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218954 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 1.43D-10 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 3.03D-10 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0059843 201.6883901** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 2.23D-11 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218954 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 2.83D-11 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 6.10D-11 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0059843 201.6883901** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 4.50D-12 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218954 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 5.67D-12 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 1.23D-11 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0059843 201.6883901** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 9.00D-13 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218954 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 1.15D-12 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 2.50D-12 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0059843 201.6883901** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 1.82D-13 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218954 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 2.36D-13 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 4.94D-13 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0059843 201.6883901** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 3.63D-14 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218954 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 4.38D-14 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 1.12D-13 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0059843 201.6883901** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 7.54D-15 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218954 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 1.08D-14 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 9.41D-15 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0059843 201.6883901** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 1.42D-15 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218954 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 2.44D-15 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-7.32370E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.25845E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.27700E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87181E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.92719E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.54655E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.29450E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.24596E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1800183 0.2762146 1.0000000 c 9.25D-15 ED = -2.814526; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0059843 201.6883901** 4.12D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 5.4D-02 9s1 0.2649828 0.9549099 1.0124392** 2.86D-02 9d1 0.2659036 -0.1277556 1.0000000** 1.23D-15 <2ph|9p2>= 1.8D-02 9p2 0.3960510 -0.0166707 1.0005561** 8.17D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 3.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4035671 -1.1218954 1.0062980** 1.01D-01 <3dh|9d2>=-1.4D-02 9d2 0.4054618 -0.1821289 0.9999355** 4.72D-03 <2ph|9p3>=-4.2D-02 9p3 0.4138958 0.3527948 1.0011799** 1.90D-02 9f1 0.3979670 0.0289185 1.0000000** 1.80D-15 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-5.9D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.4D-08 1 -0.066067 2 0.207019 3 -0.241168 4 -0.058169 5 -0.038520 6 -0.072975 7 0.047739 8 -0.027356 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.72D-02 *** CALCULATIONS FOR k^2 = 0.4600 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.058898 2 0.200870 3 -0.237077 4 -0.056699 5 -0.038225 6 -0.072228 7 0.047052 8 -0.027214 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-7.48638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36190E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-8.54385E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.88805E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.02079E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.64903E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.35729E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.35962E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 104points in CSOLVE. End of range: 24.227782212611 au. kpc 0.1763622 0.2679845 0.9702040 c 2.07D-02 ED = -3.657722; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0053920 328.7235164** 3.98D-01 < 2s|9s1>= 2.5D-01 < 1s|9s1>= 3.2D-01 9s1 0.2971519 1.7083168 1.0647239** 2.90D-01 9d1 0.3077838 -0.1239824 1.0119608** 2.52D-02 <2ph|9p2>=-1.4D-01 9p2 0.4204688 -0.0474222 1.0129986** 6.84D-02 < 2s|9s2>=-5.5D-01 <3sh|9s2>= 9.4D-03 < 1s|9s2>=-7.0D-02 9s2 0.4240762 -1.9762671 1.1051333** 3.13D-01 <3dh|9d2>=-4.7D-02 9d2 0.4343072 -0.1783650 1.0067886** 2.13D-02 <2ph|9p3>= 6.6D-02 9p3 0.4504173 0.3641903 1.0136705** 4.35D-02 9f1 0.4556900 0.0283946 1.0105078** 5.83D-02 < 2s|9s1>= 4.3D-07 < 1s|9s1>= 3.2D-07 < 2s|9s2>=-5.0D-07 <3sh|9s2>=-1.0D-07 < 1s|9s2>=-3.7D-07 1 0.047109 2 0.206911 3 -0.243773 4 -0.056640 5 -0.038350 6 -0.072283 7 0.047882 8 -0.027726 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 5.82D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-7.11618E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.35286E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.13599E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87673E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.11848E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.80864E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.44682E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.72447E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1767393 0.2662336 0.9934665 c 2.13D-03 ED = -3.862897; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0054540 408.9324919** 3.97D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 4.0D-02 9s1 0.2878767 0.9252564 1.0051244** 2.63D-02 9d1 0.2882145 -0.1229003 1.0013469** 2.39D-03 <2ph|9p2>= 3.2D-03 9p2 0.4202059 -0.0179406 1.0010347** 2.99D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.4D-01 9s2 0.4191688 -1.0922745 0.9952838** 7.54D-02 <3dh|9d2>=-1.1D-02 9d2 0.4256306 -0.1780219 1.0011769** 4.87D-03 <2ph|9p3>=-3.0D-02 9p3 0.4335294 0.3472321 0.9998039** 1.41D-02 9f1 0.4280972 0.0280380 1.0020941** 4.46D-03 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.0D-08 < 2s|9s2>= 6.5D-10 <3sh|9s2>= 1.4D-10 < 1s|9s2>= 5.0D-10 1 -0.047363 2 0.206407 3 -0.244157 4 -0.056658 5 -0.037892 6 -0.072232 7 0.047793 8 -0.027838 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-7.15119E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36060E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.14918E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89805E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16522E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92014E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45483E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.76893E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1765804 0.2659361 0.9988826 c 9.00D-04 ED = -3.852591; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0054061 406.7904795** 3.97D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 3.8D-02 9s1 0.2876545 0.9291537 1.0070375** 1.91D-02 9d1 0.2882827 -0.1228825 0.9999673** 8.49D-05 <2ph|9p2>= 9.1D-03 9p2 0.4211912 -0.0167936 1.0000763** 3.97D-03 < 2s|9s2>=-1.4D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4247726 -1.1335361 0.9979543** 7.60D-02 <3dh|9d2>=-1.0D-02 9d2 0.4274364 -0.1781562 0.9996613** 3.35D-03 <2ph|9p3>=-2.9D-02 9p3 0.4342244 0.3472911 1.0006298** 1.31D-02 9f1 0.4252986 0.0279915 1.0002295** 5.15D-04 < 2s|9s1>= 1.9D-08 < 1s|9s1>= 1.4D-08 < 2s|9s2>=-3.9D-08 <3sh|9s2>=-7.9D-09 < 1s|9s2>=-2.9D-08 1 0.047146 2 0.206440 3 -0.244170 4 -0.056656 5 -0.037888 6 -0.072219 7 0.047794 8 -0.027844 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.88D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-7.14900E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36042E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15054E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89885E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16767E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92214E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45479E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77060E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764745 0.2658508 0.9996793 c 6.00D-04 ED = -3.869693; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0054094 408.6481047** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876169 0.9256613 1.0070511** 1.86D-02 9d1 0.2882074 -0.1228566 1.0000351** 7.67D-05 <2ph|9p2>= 9.3D-03 9p2 0.4211593 -0.0168100 1.0002878** 4.13D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245465 -1.1304942 0.9986493** 7.57D-02 <3dh|9d2>=-1.0D-02 9d2 0.4272947 -0.1781228 0.9999618** 3.42D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341318 0.3471347 1.0006668** 1.34D-02 9f1 0.4252990 0.0279883 0.9999976** 7.54D-05 < 2s|9s1>= 1.6D-08 < 1s|9s1>= 1.2D-08 < 2s|9s2>=-3.6D-08 <3sh|9s2>=-7.3D-09 < 1s|9s2>=-2.7D-08 1 -0.047157 2 0.206450 3 -0.244180 4 -0.056659 5 -0.037886 6 -0.072218 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-7.14801E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36029E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15121E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89875E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16788E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92255E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45495E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77145E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764528 0.2658315 0.9999275 c 1.23D-04 ED = -3.868916; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0054096 408.5602123** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876014 0.9251839 1.0070870** 1.86D-02 9d1 0.2881891 -0.1228530 1.0000042** 8.05D-06 <2ph|9p2>= 9.5D-03 9p2 0.4211475 -0.0167840 1.0002387** 4.19D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245380 -1.1305002 0.9986260** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273075 -0.1781218 0.9999294** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341133 0.3471506 1.0006612** 1.33D-02 9f1 0.4252350 0.0279867 1.0000052** 1.24D-05 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.6D-08 <3sh|9s2>=-7.3D-09 < 1s|9s2>=-2.7D-08 1 0.047156 2 0.206449 3 -0.244180 4 -0.056659 5 -0.037885 6 -0.072217 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-7.14787E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15141E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89874E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16799E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45497E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77172E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764488 0.2658280 0.9999866 c 2.28D-05 ED = -3.868944; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0054096 408.5659967** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876042 0.9253544 1.0070904** 1.87D-02 9d1 0.2881947 -0.1228526 1.0000004** 9.38D-07 <2ph|9p2>= 9.5D-03 9p2 0.4211538 -0.0167827 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245545 -1.1313096 0.9985861** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273235 -0.1781224 0.9999277** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341206 0.3471449 1.0006619** 1.34D-02 9f1 0.4252361 0.0279866 0.9999998** 3.53D-06 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.4D-09 < 1s|9s2>=-2.7D-08 1 -0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-7.14783E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15146E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16800E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92262E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77177E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764479 0.2658273 0.9999973 c 5.29D-06 ED = -3.868940; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0054096 408.5656936** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876040 0.9253445 1.0070921** 1.87D-02 9d1 0.2881945 -0.1228524 1.0000002** 4.24D-07 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167818 1.0002382** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245552 -1.1313877 0.9985808** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273250 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471430 1.0006622** 1.34D-02 9f1 0.4252351 0.0279865 1.0000000** 6.74D-07 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.4D-09 < 1s|9s2>=-2.7D-08 1 0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 0.9999994 c 1.02D-06 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0054097 408.5652116** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876040 0.9253398 1.0070926** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 7.76D-08 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167816 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245554 -1.1314005 0.9985798** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273252 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252348 0.0279865 1.0000000** 9.89D-08 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.4D-09 < 1s|9s2>=-2.7D-08 1 -0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 0.9999999 c 2.03D-07 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0054097 408.5652182** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876040 0.9253397 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 1.29D-08 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314046 0.9985796** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 2.24D-08 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 4.32D-08 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0054097 408.5652195** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876040 0.9253397 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 3.11D-09 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314052 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 4.96D-09 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 -0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 8.79D-09 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0054097 408.5652182** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876039 0.9253396 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 6.33D-10 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314054 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 9.63D-10 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 1.78D-09 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0054097 408.5652181** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876039 0.9253396 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 1.22D-10 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314054 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 2.00D-10 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 -0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 3.68D-10 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0054097 408.5652181** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876039 0.9253396 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 2.59D-11 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314054 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 4.16D-11 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 7.53D-11 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0054097 408.5652181** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876039 0.9253396 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 5.33D-12 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314054 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 8.38D-12 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 -0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 1.53D-11 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0054097 408.5652181** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876039 0.9253396 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 1.07D-12 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314054 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 1.71D-12 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 3.15D-12 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0054097 408.5652181** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876039 0.9253396 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 2.23D-13 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314054 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 3.56D-13 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 -0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 6.50D-13 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0054097 408.5652181** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876039 0.9253396 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 4.52D-14 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314054 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 7.19D-14 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 1.31D-13 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0054097 408.5652181** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876039 0.9253396 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 8.96D-15 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314054 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 1.35D-14 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 -0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 3.46D-15 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0054097 408.5652181** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876039 0.9253396 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 6.83D-16 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314054 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 1.29D-15 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-7.14782E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.36028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.15147E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89873E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.16801E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.92263E+00 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.45498E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.77178E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1764477 0.2658271 1.0000000 c 3.78D-14 ED = -3.868935; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0054097 408.5652181** 3.97D-01 < 2s|9s1>=-1.9D-02 < 1s|9s1>= 3.7D-02 9s1 0.2876039 0.9253396 1.0070927** 1.87D-02 9d1 0.2881944 -0.1228524 1.0000000** 2.29D-15 <2ph|9p2>= 9.5D-03 9p2 0.4211541 -0.0167815 1.0002381** 4.20D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.3D-01 9s2 0.4245555 -1.1314054 0.9985795** 7.56D-02 <3dh|9d2>=-1.0D-02 9d2 0.4273253 -0.1781224 0.9999290** 3.41D-03 <2ph|9p3>=-3.0D-02 9p3 0.4341210 0.3471427 1.0006622** 1.34D-02 9f1 0.4252347 0.0279865 1.0000000** 5.41D-15 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.7D-08 <3sh|9s2>=-7.5D-09 < 1s|9s2>=-2.7D-08 1 -0.047156 2 0.206449 3 -0.244181 4 -0.056659 5 -0.037885 6 -0.072216 7 0.047794 8 -0.027845 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.87D-02 *** CALCULATIONS FOR k^2 = 0.4400 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.042365 2 0.200425 3 -0.240022 4 -0.055287 5 -0.037517 6 -0.071488 7 0.047101 8 -0.027707 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-7.30139E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46524E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-9.43316E-01 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.91378E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.27478E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.00433E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.51927E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 4.90016E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 104points in CSOLVE. End of range: 24.227782212611 au. kpc 0.1727425 0.2589924 0.9742889 c 2.14D-02 ED = -4.242287; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0064435 435.9398575** 3.98D-01 < 2s|9s1>= 3.1D-01 < 1s|9s1>= 4.2D-01 9s1 0.3217760 1.8792108 1.1319198** 3.68D-01 9d1 0.3356968 -0.1195075 1.0110353** 2.50D-02 <2ph|9p2>=-1.6D-01 9p2 0.4455805 -0.0497493 1.0153903** 7.60D-02 < 2s|9s2>=-6.4D-01 <3sh|9s2>= 2.8D-03 < 1s|9s2>=-3.5D-01 9s2 0.4503020 -2.3857586 1.3084949** 4.75D-01 <3dh|9d2>=-4.8D-02 9d2 0.4620095 -0.1750634 1.0052273** 2.17D-02 <2ph|9p3>= 9.0D-02 9p3 0.4754209 0.3605984 1.0148286** 5.20D-02 9f1 0.4933015 0.0275184 1.0103530** 5.92D-02 < 2s|9s1>= 4.7D-07 < 1s|9s1>= 3.5D-07 < 2s|9s2>=-5.8D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.3D-07 1 0.047843 2 0.207949 3 -0.248236 4 -0.055480 5 -0.037421 6 -0.071735 7 0.048126 8 -0.028507 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 7.38D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-6.89630E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.45300E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01510E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.88219E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.41920E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.03623E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61879E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.29577E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1688726 0.2569811 0.9922344 c 2.29D-02 ED = -3.980159; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0065015 386.2163149** 3.99D-01 < 2s|9s1>=-2.9D-02 < 1s|9s1>= 3.8D-02 9s1 0.3067415 0.8839901 1.0061183** 3.08D-02 9d1 0.3070767 -0.1180359 1.0020917** 3.95D-03 <2ph|9p2>= 1.0D-02 9p2 0.4381071 -0.0155430 1.0018093** 6.20D-03 < 2s|9s2>=-6.9D-02 <3sh|9s2>= 2.8D-02 < 1s|9s2>= 1.7D-01 9s2 0.4343943 -0.9515041 1.0034500** 9.34D-02 <3dh|9d2>=-9.5D-03 9d2 0.4439550 -0.1742934 1.0019660** 5.29D-03 <2ph|9p3>=-3.0D-02 9p3 0.4520043 0.3400441 1.0002593** 1.48D-02 9f1 0.4467659 0.0270012 1.0031718** 6.26D-03 < 2s|9s1>=-3.0D-09 < 1s|9s1>=-2.2D-09 < 2s|9s2>= 1.6D-07 <3sh|9s2>= 3.3D-08 < 1s|9s2>= 1.2D-07 1 -0.047965 2 0.207123 3 -0.248585 4 -0.055433 5 -0.036859 6 -0.071626 7 0.047961 8 -0.028634 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.29D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-6.94566E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46368E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90747E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47718E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04929E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62414E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.35895E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1688493 0.2566715 0.9987952 c 1.38D-04 ED = -3.967133; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0064321 385.1951549** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.4D-02 9s1 0.3073015 0.9123743 1.0072916** 2.17D-02 9d1 0.3081533 -0.1180881 0.9998476** 3.38D-04 <2ph|9p2>= 1.3D-02 9p2 0.4405196 -0.0147422 1.0000660** 5.61D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 1.2D-01 9s2 0.4435830 -1.1252229 0.9973373** 6.87D-02 <3dh|9d2>=-9.6D-03 9d2 0.4476455 -0.1745676 0.9994811** 3.05D-03 <2ph|9p3>=-2.9D-02 9p3 0.4540998 0.3404893 1.0005567** 1.29D-02 9f1 0.4448517 0.0269667 1.0001580** 4.44D-04 < 2s|9s1>= 2.7D-08 < 1s|9s1>= 2.0D-08 < 2s|9s2>=-3.5D-08 <3sh|9s2>=-7.1D-09 < 1s|9s2>=-2.6D-08 1 0.047701 2 0.207130 3 -0.248561 4 -0.055422 5 -0.036867 6 -0.071603 7 0.047959 8 -0.028638 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.92D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-6.94383E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46374E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01593E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90768E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47821E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04917E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62482E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36037E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1687279 0.2565843 0.9996603 c 7.20D-04 ED = -3.988629; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064379 387.2858970** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.4D-02 9s1 0.3073048 0.9109364 1.0072868** 2.12D-02 9d1 0.3081474 -0.1180604 1.0000372** 8.40D-05 <2ph|9p2>= 1.3D-02 9p2 0.4405408 -0.0147329 1.0004011** 5.88D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433873 -1.1241828 0.9977180** 6.77D-02 <3dh|9d2>=-9.6D-03 9d2 0.4475611 -0.1745297 0.9999618** 3.14D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540870 0.3402621 1.0006799** 1.32D-02 9f1 0.4450164 0.0269647 0.9999846** 9.80D-05 < 2s|9s1>= 2.6D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.4D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 -0.047721 2 0.207148 3 -0.248576 4 -0.055425 5 -0.036865 6 -0.071602 7 0.047960 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-6.94251E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46355E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01604E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90754E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47848E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04922E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62497E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36140E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1687012 0.2565634 0.9999185 c 1.58D-04 ED = -3.987265; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0064383 387.1258206** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072777 0.9097212 1.0073283** 2.11D-02 9d1 0.3081078 -0.1180556 1.0000062** 1.21D-05 <2ph|9p2>= 1.3D-02 9p2 0.4405128 -0.0146981 1.0003609** 5.96D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433360 -1.1228747 0.9977737** 6.76D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475500 -0.1745272 0.9999318** 3.13D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540505 0.3402668 1.0006714** 1.32D-02 9f1 0.4449242 0.0269628 1.0000069** 1.45D-05 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.2D-08 <3sh|9s2>=-6.5D-09 < 1s|9s2>=-2.4D-08 1 0.047721 2 0.207146 3 -0.248576 4 -0.055425 5 -0.036864 6 -0.071601 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-6.94240E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01606E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90753E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62500E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36173E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686966 0.2565595 0.9999848 c 2.69D-05 ED = -3.987242; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064383 387.1255581** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072810 0.9099244 1.0073347** 2.11D-02 9d1 0.3081135 -0.1180552 1.0000003** 8.35D-07 <2ph|9p2>= 1.3D-02 9p2 0.4405209 -0.0146962 1.0003581** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433594 -1.1239270 0.9977221** 6.76D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475688 -0.1745279 0.9999273** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540592 0.3402611 1.0006718** 1.33D-02 9f1 0.4449224 0.0269626 1.0000002** 3.30D-06 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.7D-09 < 1s|9s2>=-2.5D-08 1 -0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-6.94235E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01606E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47862E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36179E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686955 0.2565587 0.9999969 c 6.65D-06 ED = -3.987247; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0064383 387.1257816** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072810 0.9099172 1.0073365** 2.11D-02 9d1 0.3081134 -0.1180550 1.0000002** 4.92D-07 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146952 1.0003585** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433604 -1.1240342 0.9977155** 6.76D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475706 -0.1745279 0.9999286** 3.13D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402590 1.0006722** 1.33D-02 9f1 0.4449213 0.0269626 1.0000001** 7.89D-07 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-6.94235E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686953 0.2565585 0.9999993 c 1.34D-06 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064383 387.1250775** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099105 1.0073370** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 9.80D-08 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433606 -1.1240487 0.9977145** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475709 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402586 1.0006722** 1.33D-02 9f1 0.4449207 0.0269625 1.0000000** 1.20D-07 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 -0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-6.94235E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686953 0.2565585 0.9999999 c 2.67D-07 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0064383 387.1250395** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099102 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 1.61D-08 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240539 0.9977142** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402586 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 2.53D-08 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 5.81D-08 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064383 387.1250355** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 3.90D-09 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240548 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402586 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 5.94D-09 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 -0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 1.22D-08 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0064383 387.1250328** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 8.18D-10 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240550 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402585 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 1.21D-09 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 2.52D-09 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064383 387.1250324** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 1.63D-10 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240550 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402585 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 2.51D-10 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 -0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 5.31D-10 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0064383 387.1250323** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 3.51D-11 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240550 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402585 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 5.34D-11 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 1.11D-10 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064383 387.1250323** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 7.37D-12 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240550 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402585 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 1.11D-11 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 -0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 2.32D-11 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0064383 387.1250323** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 1.53D-12 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240550 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402585 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 2.31D-12 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 4.87D-12 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064383 387.1250323** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 3.20D-13 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240550 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402585 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 4.88D-13 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 -0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 1.05D-12 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0064383 387.1250323** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 6.83D-14 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240550 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402585 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 1.03D-13 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 2.12D-13 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064383 387.1250323** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 1.32D-14 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240550 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402585 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 1.94D-14 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 -0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 1.46D-14 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0064383 387.1250323** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 2.25D-15 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240550 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402585 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 4.26D-15 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-6.94234E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.46356E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.01607E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90752E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.47863E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.04923E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62501E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.36181E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1686952 0.2565585 1.0000000 c 2.09D-14 ED = -3.987241; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0064383 387.1250323** 3.99D-01 < 2s|9s1>=-1.8D-02 < 1s|9s1>= 4.3D-02 9s1 0.3072809 0.9099101 1.0073371** 2.11D-02 9d1 0.3081133 -0.1180550 1.0000000** 1.63D-15 <2ph|9p2>= 1.3D-02 9p2 0.4405215 -0.0146949 1.0003584** 5.97D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.2D-01 9s2 0.4433608 -1.1240550 0.9977141** 6.75D-02 <3dh|9d2>=-9.5D-03 9d2 0.4475710 -0.1745278 0.9999287** 3.12D-03 <2ph|9p3>=-3.0D-02 9p3 0.4540598 0.3402585 1.0006722** 1.33D-02 9f1 0.4449206 0.0269625 1.0000000** 2.70D-15 < 2s|9s1>= 2.5D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-3.3D-08 <3sh|9s2>=-6.8D-09 < 1s|9s2>=-2.5D-08 1 -0.047721 2 0.207146 3 -0.248577 4 -0.055425 5 -0.036864 6 -0.071600 7 0.047959 8 -0.028639 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.91D-02 *** CALCULATIONS FOR k^2 = 0.4200 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.043255 2 0.201141 3 -0.244308 4 -0.054110 5 -0.036495 6 -0.070891 7 0.047267 8 -0.028495 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-7.08885E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57098E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.04616E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92212E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.59044E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.06209E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.69212E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.50307E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 104points in CSOLVE. End of range: 24.227782212611 au. kpc 0.1644029 0.2495140 0.9725424 c 2.61D-02 ED = -4.056930; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0086882 347.1865185** 4.00D-01 < 2s|9s1>= 3.2D-01 < 1s|9s1>= 4.7D-01 9s1 0.3394352 1.9163268 1.1724339** 3.95D-01 9d1 0.3547805 -0.1147322 1.0110839** 2.55D-02 <2ph|9p2>=-1.6D-01 9p2 0.4611695 -0.0476441 1.0142972** 7.25D-02 < 2s|9s2>=-6.4D-01 <3sh|9s2>= 9.0D-03 < 1s|9s2>=-4.1D-01 9s2 0.4673924 -2.4255574 1.3751058** 4.99D-01 <3dh|9d2>=-4.7D-02 9d2 0.4798241 -0.1714867 1.0049183** 2.14D-02 <2ph|9p3>= 9.4D-02 9p3 0.4937949 0.3551246 1.0147256** 5.28D-02 9f1 0.5144447 0.0264238 1.0113042** 5.99D-02 < 2s|9s1>= 4.7D-07 < 1s|9s1>= 3.5D-07 < 2s|9s2>=-5.9D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.4D-07 1 0.055963 2 0.208706 3 -0.252792 4 -0.054135 5 -0.036237 6 -0.070977 7 0.048199 8 -0.029451 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 7.94D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-6.66360E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.55888E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12865E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.88039E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.74767E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.10019E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79911E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 5.95897E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1575551 0.2476395 0.9924875 c 4.35D-02 ED = -3.742869; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0088094 268.0295372** 4.01D-01 < 2s|9s1>=-2.6D-02 < 1s|9s1>= 7.3D-02 9s1 0.3250777 0.9141861 1.0081463** 3.98D-02 9d1 0.3263700 -0.1132952 1.0021661** 4.18D-03 <2ph|9p2>= 1.8D-02 9p2 0.4547105 -0.0124449 1.0019482** 9.82D-03 < 2s|9s2>=-6.5D-02 <3sh|9s2>= 3.4D-02 < 1s|9s2>= 1.5D-01 9s2 0.4503170 -0.9570261 1.0023715** 8.50D-02 <3dh|9d2>=-9.9D-03 9d2 0.4637256 -0.1709566 1.0016981** 5.16D-03 <2ph|9p3>=-3.2D-02 9p3 0.4717960 0.3337503 1.0005236** 1.56D-02 9f1 0.4640473 0.0259011 1.0031039** 6.08D-03 < 2s|9s1>= 4.9D-08 < 1s|9s1>= 3.7D-08 < 2s|9s2>= 1.4D-07 <3sh|9s2>= 2.8D-08 < 1s|9s2>= 1.0D-07 1 -0.056419 2 0.207883 3 -0.253354 4 -0.054077 5 -0.035661 6 -0.070862 7 0.048040 8 -0.029611 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.35D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-6.71853E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57273E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12967E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90672E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81646E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11525E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80609E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04102E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1574561 0.2473632 0.9988844 c 6.29D-04 ED = -3.715096; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087150 265.8087262** 4.01D-01 < 2s|9s1>=-2.0D-02 < 1s|9s1>= 7.0D-02 9s1 0.3253377 0.9198370 1.0104489** 3.37D-02 9d1 0.3267843 -0.1133216 0.9998813** 2.67D-04 <2ph|9p2>= 2.6D-02 9p2 0.4572330 -0.0107336 1.0005914** 1.13D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.1D-02 < 1s|9s2>= 9.9D-02 9s2 0.4605840 -1.1351228 0.9961827** 6.07D-02 <3dh|9d2>=-9.5D-03 9d2 0.4672329 -0.1712150 0.9995309** 2.97D-03 <2ph|9p3>=-3.5D-02 9p3 0.4738479 0.3332896 1.0008000** 1.55D-02 9f1 0.4605319 0.0258562 1.0002172** 5.61D-04 < 2s|9s1>= 5.6D-08 < 1s|9s1>= 4.1D-08 < 2s|9s2>=-5.8D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.3D-08 1 0.056126 2 0.207893 3 -0.253370 4 -0.054072 5 -0.035672 6 -0.070851 7 0.048042 8 -0.029620 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.26D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-6.71835E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57326E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12972E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90711E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81702E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11513E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80675E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04336E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573416 0.2472660 0.9996069 c 7.28D-04 ED = -3.733982; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087209 267.1387689** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.6D-02 9s1 0.3252608 0.9107455 1.0104806** 3.16D-02 9d1 0.3266255 -0.1132870 1.0000444** 9.51D-05 <2ph|9p2>= 2.6D-02 9p2 0.4571697 -0.0106816 1.0009039** 1.17D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603099 -1.1239416 0.9968647** 5.99D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669328 -0.1711620 0.9999812** 3.07D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736955 0.3330155 1.0009454** 1.59D-02 9f1 0.4604858 0.0258515 1.0000045** 6.20D-05 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.7D-08 <3sh|9s2>=-9.4D-09 < 1s|9s2>=-3.5D-08 1 -0.056145 2 0.207902 3 -0.253383 4 -0.054074 5 -0.035668 6 -0.070850 7 0.048042 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-6.71733E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12980E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90707E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81751E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11523E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80687E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04425E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573087 0.2472432 0.9999078 c 2.10D-04 ED = -3.733339; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087214 267.0472326** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.6D-02 9s1 0.3252467 0.9105265 1.0105103** 3.17D-02 9d1 0.3266092 -0.1132831 1.0000048** 9.57D-06 <2ph|9p2>= 2.6D-02 9p2 0.4571606 -0.0106551 1.0008651** 1.18D-02 < 2s|9s2>=-1.1D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603053 -1.1239207 0.9968952** 5.98D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669503 -0.1711605 0.9999282** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736795 0.3330425 1.0009323** 1.59D-02 9f1 0.4604171 0.0258498 1.0000056** 1.78D-05 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.7D-08 <3sh|9s2>=-9.4D-09 < 1s|9s2>=-3.5D-08 1 0.056145 2 0.207902 3 -0.253383 4 -0.054074 5 -0.035667 6 -0.070849 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-6.71714E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12983E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90705E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81766E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80691E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04462E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573025 0.2472388 0.9999822 c 3.94D-05 ED = -3.733362; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087215 267.0465113** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252500 0.9107545 1.0105193** 3.17D-02 9d1 0.3266144 -0.1132825 1.0000006** 1.49D-06 <2ph|9p2>= 2.6D-02 9p2 0.4571691 -0.0106522 1.0008643** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603262 -1.1250649 0.9968492** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669699 -0.1711611 0.9999262** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736884 0.3330351 1.0009334** 1.59D-02 9f1 0.4604138 0.0258496 1.0000002** 4.34D-06 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.6D-09 < 1s|9s2>=-3.5D-08 1 -0.056145 2 0.207902 3 -0.253383 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-6.71709E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90704E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81767E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04470E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573010 0.2472379 0.9999963 c 9.40D-06 ED = -3.733347; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087216 267.0445850** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252497 0.9107290 1.0105216** 3.17D-02 9d1 0.3266138 -0.1132823 1.0000003** 6.17D-07 <2ph|9p2>= 2.6D-02 9p2 0.4571695 -0.0106508 1.0008646** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603269 -1.1251860 0.9968422** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669716 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736887 0.3330325 1.0009339** 1.59D-02 9f1 0.4604113 0.0258495 1.0000002** 8.83D-07 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.5D-08 1 0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90704E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81767E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04472E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573007 0.2472377 0.9999992 c 1.94D-06 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087216 267.0438943** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107208 1.0105222** 3.17D-02 9d1 0.3266136 -0.1132823 1.0000001** 1.17D-07 <2ph|9p2>= 2.6D-02 9p2 0.4571695 -0.0106505 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603274 -1.1252104 0.9968408** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669719 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330320 1.0009340** 1.59D-02 9f1 0.4604106 0.0258495 1.0000001** 1.38D-07 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 -0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 0.9999998 c 4.01D-07 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087216 267.0438250** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107197 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 2.30D-08 <2ph|9p2>= 2.6D-02 9p2 0.4571695 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252164 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669720 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 2.91D-08 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 8.81D-08 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087216 267.0438107** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 5.21D-09 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252175 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 6.85D-09 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 -0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 1.89D-08 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087216 267.0438070** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 1.09D-09 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252178 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 1.50D-09 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 4.06D-09 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087216 267.0438063** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 2.34D-10 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252178 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 3.25D-10 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 -0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 8.73D-10 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087216 267.0438061** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 5.09D-11 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252178 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 6.95D-11 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 1.87D-10 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087216 267.0438061** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 1.09D-11 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252178 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 1.47D-11 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 -0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 4.02D-11 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087216 267.0438061** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 2.34D-12 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252178 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 3.17D-12 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 8.61D-12 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087216 267.0438060** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 5.01D-13 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252178 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 6.78D-13 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 -0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 1.85D-12 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087216 267.0438060** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 1.07D-13 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252178 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 1.47D-13 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 4.06D-13 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087216 267.0438060** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 2.49D-14 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252178 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 3.27D-14 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 -0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 5.70D-14 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087216 267.0438060** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 3.21D-15 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252178 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 5.66D-15 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-6.71708E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.57311E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.12984E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90703E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.81768E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80692E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.04473E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1573006 0.2472376 1.0000000 c 2.77D-14 ED = -3.733340; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087216 267.0438060** 4.01D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 6.7D-02 9s1 0.3252496 0.9107194 1.0105224** 3.17D-02 9d1 0.3266135 -0.1132822 1.0000000** 1.28D-15 <2ph|9p2>= 2.6D-02 9p2 0.4571696 -0.0106504 1.0008645** 1.18D-02 < 2s|9s2>=-1.2D-01 <3sh|9s2>= 3.2D-02 < 1s|9s2>= 1.0D-01 9s2 0.4603275 -1.1252178 0.9968404** 5.97D-02 <3dh|9d2>=-9.4D-03 9d2 0.4669721 -0.1711610 0.9999274** 3.06D-03 <2ph|9p3>=-3.6D-02 9p3 0.4736888 0.3330319 1.0009340** 1.59D-02 9f1 0.4604104 0.0258495 1.0000000** 1.73D-15 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 -0.056145 2 0.207902 3 -0.253384 4 -0.054074 5 -0.035667 6 -0.070848 7 0.048041 8 -0.029621 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 2.25D-02 *** CALCULATIONS FOR k^2 = 0.4000 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.051312 2 0.201886 3 -0.248985 4 -0.052808 5 -0.035315 6 -0.070161 7 0.047355 8 -0.029465 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-6.85714E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.68354E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.16212E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92152E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-4.93203E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.12868E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.87730E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.19903E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 103points in CSOLVE. End of range: 25.790339917193 au. kpc 0.1533508 0.2388037 0.9658876 c 2.58D-02 ED = -4.794770; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0068583 453.1816491** 3.85D-01 < 2s|9s1>= 3.0D-01 < 1s|9s1>= 4.5D-01 9s1 0.3533120 1.8416764 1.1542986** 3.75D-01 9d1 0.3681744 -0.1095721 1.0120318** 2.62D-02 <2ph|9p2>=-1.3D-01 9p2 0.4725609 -0.0411362 1.0109237** 6.08D-02 < 2s|9s2>=-5.0D-01 <3sh|9s2>= 2.1D-02 < 1s|9s2>=-1.5D-01 9s2 0.4770085 -2.0293367 1.0981454** 3.33D-01 <3dh|9d2>=-4.2D-02 9d2 0.4902773 -0.1674496 1.0057211** 2.03D-02 <2ph|9p3>= 9.2D-02 9p3 0.5069349 0.3487044 1.0141028** 5.14D-02 9f1 0.5268310 0.0251292 1.0131103** 5.97D-02 < 2s|9s1>= 4.5D-07 < 1s|9s1>= 3.4D-07 < 2s|9s2>=-5.1D-07 <3sh|9s2>=-1.0D-07 < 1s|9s2>=-3.8D-07 1 0.037095 2 0.207222 3 -0.256467 4 -0.052050 5 -0.035096 6 -0.069912 7 0.048031 8 -0.030402 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 7.57D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-6.46872E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.68787E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25096E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.91614E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.00888E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.15494E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.98901E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.70896E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1538284 0.2369096 0.9920681 c 3.11D-03 ED = -5.410248; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069526 623.1145671** 3.87D-01 < 2s|9s1>=-2.0D-02 < 1s|9s1>= 3.5D-02 9s1 0.3473814 0.8421914 1.0021714** 2.69D-02 9d1 0.3473515 -0.1084129 1.0014799** 2.70D-03 <2ph|9p2>= 1.5D-03 9p2 0.4803926 -0.0127779 1.0004733** 2.91D-03 < 2s|9s2>=-4.6D-02 <3sh|9s2>= 2.0D-02 < 1s|9s2>= 1.2D-01 9s2 0.4758998 -0.9988224 0.9977347** 7.18D-02 <3dh|9d2>=-7.0D-03 9d2 0.4838724 -0.1671721 1.0011968** 3.83D-03 <2ph|9p3>=-2.0D-02 9p3 0.4906612 0.3284985 0.9999454** 1.03D-02 9f1 0.4869535 0.0246853 1.0020440** 4.57D-03 < 2s|9s1>= 1.1D-08 < 1s|9s1>= 8.5D-09 < 2s|9s2>= 1.2D-07 <3sh|9s2>= 2.4D-08 < 1s|9s2>= 8.8D-08 1 -0.037530 2 0.206326 3 -0.256840 4 -0.051977 5 -0.034528 6 -0.069792 7 0.047895 8 -0.030540 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.44D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-6.52229E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70136E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25083E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94388E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08147E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17241E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00012E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.76929E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1536955 0.2366219 0.9987856 c 8.65D-04 ED = -5.365162; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0069010 615.8365566** 3.87D-01 < 2s|9s1>=-7.1D-03 < 1s|9s1>= 4.5D-02 9s1 0.3475611 0.8773587 1.0047593** 2.28D-02 9d1 0.3479288 -0.1084294 0.9998972** 2.25D-04 <2ph|9p2>= 1.1D-02 9p2 0.4827751 -0.0107923 1.0000892** 4.91D-03 < 2s|9s2>=-7.9D-02 <3sh|9s2>= 1.6D-02 < 1s|9s2>= 8.5D-02 9s2 0.4862991 -1.1199510 0.9955990** 4.74D-02 <3dh|9d2>=-6.4D-03 9d2 0.4873518 -0.1673747 0.9995862** 1.99D-03 <2ph|9p3>=-2.1D-02 9p3 0.4927642 0.3285298 1.0003567** 9.17D-03 9f1 0.4837131 0.0246454 1.0001462** 4.01D-04 < 2s|9s1>= 4.7D-08 < 1s|9s1>= 3.5D-08 < 2s|9s2>=-1.7D-08 <3sh|9s2>=-3.4D-09 < 1s|9s2>=-1.2D-08 1 0.037372 2 0.206398 3 -0.256872 4 -0.051981 5 -0.034536 6 -0.069785 7 0.047898 8 -0.030548 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-6.51898E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70109E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25107E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94426E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08335E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17241E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00025E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77268E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535476 0.2365220 0.9995779 c 9.64D-04 ED = -5.387223; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069055 618.4251462** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474265 0.8648799 1.0048036** 1.89D-02 9d1 0.3477009 -0.1083924 1.0000519** 1.11D-04 <2ph|9p2>= 1.2D-02 9p2 0.4825833 -0.0107486 1.0003478** 5.28D-03 < 2s|9s2>=-7.4D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.2D-02 9s2 0.4856295 -1.1009054 0.9970206** 4.72D-02 <3dh|9d2>=-6.3D-03 9d2 0.4869580 -0.1673214 0.9999964** 2.07D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925575 0.3282486 1.0004420** 9.75D-03 9f1 0.4835927 0.0246402 1.0000097** 9.81D-05 < 2s|9s1>= 3.6D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>= 2.9D-09 <3sh|9s2>= 5.9D-10 < 1s|9s2>= 2.2D-09 1 -0.037383 2 0.206402 3 -0.256889 4 -0.051982 5 -0.034532 6 -0.069784 7 0.047897 8 -0.030549 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-6.51816E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70107E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25117E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94416E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08379E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17250E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00042E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77424E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535184 0.2364980 0.9998987 c 1.90D-04 ED = -5.385807; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0069055 618.2487457** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474145 0.8641167 1.0048516** 1.88D-02 9d1 0.3476775 -0.1083882 1.0000047** 9.17D-06 <2ph|9p2>= 1.2D-02 9p2 0.4825853 -0.0107135 1.0002998** 5.34D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.1D-02 9s2 0.4856672 -1.1025511 0.9969360** 4.70D-02 <3dh|9d2>=-6.3D-03 9d2 0.4869821 -0.1673199 0.9999410** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925447 0.3282529 1.0004345** 9.74D-03 9f1 0.4834969 0.0246382 1.0000071** 1.48D-05 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>= 1.2D-09 <3sh|9s2>= 2.5D-10 < 1s|9s2>= 9.1D-10 1 0.037382 2 0.206400 3 -0.256888 4 -0.051982 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-6.51801E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70109E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25120E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94415E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08394E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00047E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77465E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535121 0.2364932 0.9999797 c 4.11D-05 ED = -5.385958; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069056 618.2680528** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644851 1.0048575** 1.89D-02 9d1 0.3476849 -0.1083876 1.0000005** 1.32D-06 <2ph|9p2>= 1.2D-02 9p2 0.4825977 -0.0107118 1.0002999** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856968 -1.1041199 0.9968651** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870060 -0.1673205 0.9999385** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925571 0.3282461 1.0004351** 9.75D-03 9f1 0.4834959 0.0246380 1.0000002** 4.38D-06 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-4.1D-10 < 1s|9s2>=-3.0D-10 1 -0.037382 2 0.206400 3 -0.256889 4 -0.051982 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-6.51795E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77474E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535106 0.2364922 0.9999955 c 1.02D-05 ED = -5.385956; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0069056 618.2674881** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474197 0.8644652 1.0048591** 1.89D-02 9d1 0.3476844 -0.1083874 1.0000003** 6.57D-07 <2ph|9p2>= 1.2D-02 9p2 0.4825983 -0.0107106 1.0003001** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856973 -1.1042807 0.9968561** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870081 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925576 0.3282436 1.0004355** 9.76D-03 9f1 0.4834936 0.0246379 1.0000002** 1.08D-06 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-5.8D-10 <3sh|9s2>=-1.1D-10 < 1s|9s2>=-4.2D-10 1 0.037382 2 0.206400 3 -0.256889 4 -0.051982 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 0.9999990 c 2.05D-06 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069056 618.2664366** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474197 0.8644610 1.0048596** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000001** 1.09D-07 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856979 -1.1043244 0.9968537** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870086 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282431 1.0004355** 9.76D-03 9f1 0.4834929 0.0246379 1.0000000** 1.79D-07 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.3D-10 <3sh|9s2>=-1.2D-10 < 1s|9s2>=-4.5D-10 1 -0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 0.9999998 c 4.44D-07 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0069056 618.2664195** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644611 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 2.25D-08 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856981 -1.1043351 0.9968531** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282430 1.0004355** 9.76D-03 9f1 0.4834928 0.0246379 1.0000000** 4.04D-08 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 9.97D-08 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069056 618.2664091** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644610 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 5.66D-09 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043370 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 9.29D-09 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 -0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 2.15D-08 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0069056 618.2664051** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644609 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 1.15D-09 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043374 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 1.95D-09 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 4.69D-09 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069056 618.2664046** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644609 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 2.50D-10 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043375 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 4.34D-10 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 -0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 1.03D-09 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0069056 618.2664044** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644609 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 5.62D-11 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043376 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 9.56D-11 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 2.24D-10 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069056 618.2664044** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644609 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 1.21D-11 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043376 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 2.07D-11 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 -0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 4.90D-11 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0069056 618.2664044** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644609 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 2.64D-12 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043376 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 4.52D-12 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 1.07D-11 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069056 618.2664044** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644609 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 5.80D-13 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043376 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 9.89D-13 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 -0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 2.33D-12 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0069056 618.2664044** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644609 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 1.26D-13 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043376 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 2.15D-13 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 5.11D-13 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069056 618.2664044** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644609 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 2.80D-14 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043376 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 4.66D-14 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 -0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 9.89D-14 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0069056 618.2664044** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644609 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 6.03D-15 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043376 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 1.14D-14 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-6.51794E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.70108E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.25121E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94413E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.08395E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.17251E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.00048E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.77477E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1535102 0.2364919 1.0000000 c 7.00D-14 ED = -5.385947; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0069056 618.2664044** 3.87D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 4.0D-02 9s1 0.3474198 0.8644609 1.0048597** 1.89D-02 9d1 0.3476843 -0.1083873 1.0000000** 2.71D-15 <2ph|9p2>= 1.2D-02 9p2 0.4825986 -0.0107103 1.0003000** 5.35D-03 < 2s|9s2>=-7.5D-02 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 9.0D-02 9s2 0.4856982 -1.1043376 0.9968530** 4.69D-02 <3dh|9d2>=-6.3D-03 9d2 0.4870088 -0.1673204 0.9999399** 2.06D-03 <2ph|9p3>=-2.2D-02 9p3 0.4925578 0.3282429 1.0004355** 9.76D-03 9f1 0.4834927 0.0246379 1.0000000** 3.92D-15 < 2s|9s1>= 3.5D-08 < 1s|9s1>= 2.6D-08 < 2s|9s2>=-6.4D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.6D-10 1 -0.037382 2 0.206400 3 -0.256889 4 -0.051981 5 -0.034530 6 -0.069782 7 0.047897 8 -0.030550 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.45D-02 *** CALCULATIONS FOR k^2 = 0.3800 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.034300 2 0.200525 3 -0.252409 4 -0.050810 5 -0.034155 6 -0.069115 7 0.047208 8 -0.030388 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-6.64883E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.81376E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.28557E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95714E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.20838E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.18739E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.07319E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 6.94715E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 103points in CSOLVE. End of range: 25.790339917193 au. kpc 0.1488834 0.2291834 0.9690965 c 3.11D-02 ED = -5.574952; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085598 594.5679921** 3.88D-01 < 2s|9s1>= 3.6D-01 < 1s|9s1>= 5.7D-01 9s1 0.3762589 2.0081454 1.2975007** 4.56D-01 9d1 0.3938265 -0.1050577 1.0112610** 2.62D-02 <2ph|9p2>=-1.5D-01 9p2 0.4963840 -0.0435474 1.0136665** 6.98D-02 < 2s|9s2>=-5.9D-01 <3sh|9s2>= 1.2D-02 < 1s|9s2>=-4.5D-01 9s2 0.5083852 -2.4287108 1.3668427** 5.01D-01 <3dh|9d2>=-4.3D-02 9d2 0.5147882 -0.1642392 1.0042866** 2.07D-02 <2ph|9p3>= 1.2D-01 9p3 0.5292162 0.3467969 1.0162646** 6.04D-02 9f1 0.5588745 0.0239735 1.0131078** 6.02D-02 < 2s|9s1>= 4.6D-07 < 1s|9s1>= 3.4D-07 < 2s|9s2>=-5.9D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.4D-07 1 0.040805 2 0.206931 3 -0.261160 4 -0.050264 5 -0.033953 6 -0.068911 7 0.047969 8 -0.031599 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.14D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-6.21808E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.82162E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39277E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.91137E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.31039E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.22314E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.19866E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.54974E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1431503 0.2270919 0.9908741 c 4.00D-02 ED = -5.278037; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0086765 499.5588297** 3.89D-01 < 2s|9s1>=-2.5D-02 < 1s|9s1>= 4.8D-02 9s1 0.3656350 0.8241813 1.0038626** 3.56D-02 9d1 0.3659347 -0.1036028 1.0022000** 4.23D-03 <2ph|9p2>= 9.8D-03 9p2 0.4967044 -0.0087081 1.0011843** 6.77D-03 < 2s|9s2>= 1.5D-02 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 1.8D-01 9s2 0.4887159 -0.7887536 1.0151941** 1.21D-01 <3dh|9d2>=-5.9D-03 9d2 0.5012678 -0.1637625 1.0017284** 4.05D-03 <2ph|9p3>=-2.1D-02 9p3 0.5087752 0.3226092 1.0003330** 1.13D-02 9f1 0.5049086 0.0234387 1.0027172** 5.71D-03 < 2s|9s1>= 1.8D-08 < 1s|9s1>= 1.4D-08 < 2s|9s2>= 4.4D-07 <3sh|9s2>= 8.9D-08 < 1s|9s2>= 3.3D-07 1 -0.041287 2 0.205763 3 -0.261578 4 -0.050084 5 -0.033231 6 -0.068693 7 0.047731 8 -0.031769 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.00D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-6.29001E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83956E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39319E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94627E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40380E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24543E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.20912E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.65700E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1431622 0.2268261 0.9988293 c 8.34D-05 ED = -5.216247; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085915 493.5671685** 3.89D-01 < 2s|9s1>=-5.2D-03 < 1s|9s1>= 6.5D-02 9s1 0.3666482 0.8825298 1.0062620** 3.46D-02 9d1 0.3672670 -0.1036828 0.9997843** 4.58D-04 <2ph|9p2>= 1.8D-02 9p2 0.5012799 -0.0066951 1.0001819** 7.83D-03 < 2s|9s2>=-7.6D-02 <3sh|9s2>= 1.8D-02 < 1s|9s2>= 7.1D-02 9s2 0.5049713 -1.1236509 0.9955501** 4.25D-02 <3dh|9d2>=-6.1D-03 9d2 0.5072050 -0.1641409 0.9993911** 1.87D-03 <2ph|9p3>=-2.3D-02 9p3 0.5127708 0.3223875 1.0003813** 1.04D-02 9f1 0.5014783 0.0234036 1.0001169** 4.60D-04 < 2s|9s1>= 7.4D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-2.9D-08 <3sh|9s2>=-5.9D-09 < 1s|9s2>=-2.2D-08 1 0.041076 2 0.205838 3 -0.261601 4 -0.050086 5 -0.033261 6 -0.068685 7 0.047735 8 -0.031777 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.61D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-6.28741E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83955E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39339E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94576E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40248E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24475E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.20978E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66022E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429945 0.2267189 0.9995273 c 1.17D-03 ED = -5.242550; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0085989 496.0299045** 3.89D-01 < 2s|9s1>=-9.6D-03 < 1s|9s1>= 5.7D-02 9s1 0.3664668 0.8631976 1.0061579** 2.79D-02 9d1 0.3669752 -0.1036380 1.0000625** 1.32D-04 <2ph|9p2>= 1.9D-02 9p2 0.5010083 -0.0066189 1.0005802** 8.40D-03 < 2s|9s2>=-6.7D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.3D-02 9s2 0.5040433 -1.0911770 0.9971000** 4.20D-02 <3dh|9d2>=-6.0D-03 9d2 0.5066407 -0.1640703 1.0000154** 1.95D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125044 0.3219890 1.0005610** 1.11D-02 9f1 0.5013809 0.0233982 1.0000096** 1.04D-04 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.3D-08 < 2s|9s2>= 3.7D-09 <3sh|9s2>= 7.6D-10 < 1s|9s2>= 2.8D-09 1 -0.041095 2 0.205842 3 -0.261623 4 -0.050087 5 -0.033255 6 -0.068685 7 0.047734 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-6.28662E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83955E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39352E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94571E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40320E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24491E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.20994E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66201E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429581 0.2266922 0.9998824 c 2.55D-04 ED = -5.240739; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085989 495.7953315** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664494 0.8620128 1.0062097** 2.76D-02 9d1 0.3669411 -0.1036332 1.0000057** 1.11D-05 <2ph|9p2>= 1.9D-02 9p2 0.5010070 -0.0065722 1.0005337** 8.49D-03 < 2s|9s2>=-6.7D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.2D-02 9s2 0.5040848 -1.0923484 0.9970698** 4.18D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066568 -0.1640679 0.9999439** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5124852 0.3219944 1.0005491** 1.11D-02 9f1 0.5012585 0.0233959 1.0000085** 1.77D-05 < 2s|9s1>= 5.6D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 2.5D-09 <3sh|9s2>= 5.1D-10 < 1s|9s2>= 1.9D-09 1 0.041094 2 0.205839 3 -0.261623 4 -0.050086 5 -0.033254 6 -0.068683 7 0.047734 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-6.28647E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83958E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39355E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94570E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40340E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.20999E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66253E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429503 0.2266867 0.9999756 c 5.48D-05 ED = -5.240908; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0085990 495.8080962** 3.89D-01 < 2s|9s1>=-9.9D-03 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624684 1.0062215** 2.78D-02 9d1 0.3669488 -0.1036324 1.0000006** 1.57D-06 <2ph|9p2>= 1.9D-02 9p2 0.5010225 -0.0065702 1.0005334** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041222 -1.0943616 0.9969846** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066845 -0.1640685 0.9999401** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5124999 0.3219867 1.0005498** 1.11D-02 9f1 0.5012545 0.0233956 1.0000005** 4.78D-06 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 4.3D-10 < 1s|9s2>= 3.3D-10 1 -0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-6.28640E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40340E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21000E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66265E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429482 0.2266854 0.9999944 c 1.42D-05 ED = -5.240907; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085990 495.8062697** 3.89D-01 < 2s|9s1>=-9.9D-03 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624434 1.0062231** 2.78D-02 9d1 0.3669481 -0.1036321 1.0000004** 7.97D-07 <2ph|9p2>= 1.9D-02 9p2 0.5010233 -0.0065690 1.0005337** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041225 -1.0945841 0.9969730** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066870 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125006 0.3219837 1.0005503** 1.12D-02 9f1 0.5012515 0.0233955 1.0000002** 1.32D-06 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.9D-10 < 1s|9s2>= 1.6D-10 1 0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66268E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429478 0.2266851 0.9999988 c 2.97D-06 ED = -5.240896; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0085990 495.8048530** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624387 1.0062237** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000001** 1.37D-07 <2ph|9p2>= 1.9D-02 9p2 0.5010237 -0.0065686 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041234 -1.0946491 0.9969697** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066877 -0.1640684 0.9999414** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125008 0.3219830 1.0005504** 1.12D-02 9f1 0.5012505 0.0233955 1.0000001** 2.30D-07 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.3D-10 < 1s|9s2>= 1.1D-10 1 -0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66268E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 0.9999997 c 6.54D-07 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085990 495.8047254** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624383 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 3.04D-08 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041236 -1.0946640 0.9969689** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999414** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012504 0.0233955 1.0000000** 5.11D-08 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 0.9999999 c 1.49D-07 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0085991 495.8046911** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624380 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 7.45D-09 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946668 0.9969688** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 1.19D-08 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 -0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 1.0000000 c 3.31D-08 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085991 495.8046826** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624380 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 1.57D-09 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946675 0.9969688** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 2.60D-09 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 1.0000000 c 7.42D-09 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0085991 495.8046809** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624379 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 3.54D-10 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946676 0.9969687** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 5.92D-10 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 -0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 1.0000000 c 1.67D-09 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085991 495.8046805** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624379 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 8.05D-11 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946677 0.9969687** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 1.33D-10 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 1.0000000 c 3.73D-10 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0085991 495.8046805** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624379 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 1.79D-11 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946677 0.9969687** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 2.97D-11 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 -0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 1.0000000 c 8.36D-11 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085991 495.8046804** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624379 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 4.01D-12 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946677 0.9969687** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 6.66D-12 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 1.0000000 c 1.87D-11 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0085991 495.8046804** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624379 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 9.00D-13 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946677 0.9969687** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 1.49D-12 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 -0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 1.0000000 c 4.23D-12 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085991 495.8046804** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624379 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 2.02D-13 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946677 0.9969687** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 3.37D-13 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 1.0000000 c 9.57D-13 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0085991 495.8046804** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624379 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 4.63D-14 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946677 0.9969687** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 7.39D-14 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 -0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 1.0000000 c 1.56D-13 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0085991 495.8046804** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624379 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 7.53D-15 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946677 0.9969687** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 1.53D-14 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-6.28638E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.83957E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.39356E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.94568E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.40341E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.24493E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.21001E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.66269E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1429477 0.2266851 1.0000000 c 4.47D-14 ED = -5.240895; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0085991 495.8046804** 3.89D-01 < 2s|9s1>=-1.0D-02 < 1s|9s1>= 5.7D-02 9s1 0.3664557 0.8624379 1.0062239** 2.78D-02 9d1 0.3669480 -0.1036321 1.0000000** 2.21D-15 <2ph|9p2>= 1.9D-02 9p2 0.5010238 -0.0065685 1.0005336** 8.50D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 8.1D-02 9s2 0.5041237 -1.0946677 0.9969687** 4.17D-02 <3dh|9d2>=-5.9D-03 9d2 0.5066879 -0.1640684 0.9999415** 1.94D-03 <2ph|9p3>=-2.5D-02 9p3 0.5125009 0.3219829 1.0005504** 1.12D-02 9f1 0.5012503 0.0233955 1.0000000** 2.07D-15 < 2s|9s1>= 5.7D-08 < 1s|9s1>= 4.2D-08 < 2s|9s2>= 1.1D-10 1 -0.041094 2 0.205840 3 -0.261624 4 -0.050086 5 -0.033254 6 -0.068682 7 0.047733 8 -0.031779 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.60D-02 *** CALCULATIONS FOR k^2 = 0.3600 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.037913 2 0.200010 3 -0.257017 4 -0.048978 5 -0.032896 6 -0.068039 7 0.047053 8 -0.031603 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-6.40995E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.95573E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.43050E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95827E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.53057E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.26050E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.28610E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 7.85186E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 102points in CSOLVE. End of range: 27.453673935460 au. kpc 0.1379042 0.2183015 0.9630168 c 3.66D-02 ED = -6.432152; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0072987 733.2963197** 3.76D-01 < 2s|9s1>= 3.5D-01 < 1s|9s1>= 5.7D-01 9s1 0.3905919 1.9697752 1.2932656** 4.51D-01 9d1 0.4083592 -0.1000372 1.0120529** 2.72D-02 <2ph|9p2>=-1.3D-01 9p2 0.5077965 -0.0369560 1.0109821** 6.07D-02 < 2s|9s2>=-4.8D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>=-2.3D-01 9s2 0.5205400 -2.1066494 1.1131016** 3.61D-01 <3dh|9d2>=-3.7D-02 9d2 0.5256587 -0.1605066 1.0047380** 1.98D-02 <2ph|9p3>= 1.2D-01 9p3 0.5418314 0.3416734 1.0161395** 6.00D-02 9f1 0.5730163 0.0226141 1.0145287** 5.99D-02 < 2s|9s1>= 4.5D-07 < 1s|9s1>= 3.3D-07 < 2s|9s2>=-5.3D-07 <3sh|9s2>=-1.1D-07 < 1s|9s2>=-4.0D-07 1 0.029770 2 0.204430 3 -0.264708 4 -0.047856 5 -0.032733 6 -0.067411 7 0.047518 8 -0.032796 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.02D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-5.99748E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.98238E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55080E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92487E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.56360E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.28515E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.42006E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.54629E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1354247 0.2162287 0.9905050 c 1.83D-02 ED = -7.238353; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0074064 930.4399034** 3.76D-01 < 2s|9s1>=-2.2D-02 < 1s|9s1>= 2.5D-02 9s1 0.3875776 0.7677932 1.0009782** 2.92D-02 9d1 0.3876315 -0.0988472 1.0016695** 3.10D-03 <2ph|9p2>= 5.3D-04 9p2 0.5194861 -0.0066607 1.0003595** 3.65D-03 < 2s|9s2>= 2.0D-02 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 1.6D-01 9s2 0.5093767 -0.8310130 1.0114809** 1.06D-01 <3dh|9d2>=-4.5D-03 9d2 0.5224537 -0.1604419 1.0011000** 2.98D-03 <2ph|9p3>=-1.2D-02 9p3 0.5284889 0.3180522 1.0000493** 7.87D-03 9f1 0.5291174 0.0221492 1.0020653** 4.72D-03 < 2s|9s1>=-6.8D-09 < 1s|9s1>=-5.1D-09 < 2s|9s2>= 3.8D-07 <3sh|9s2>= 7.6D-08 < 1s|9s2>= 2.8D-07 1 -0.030271 2 0.203294 3 -0.265030 4 -0.047658 5 -0.032042 6 -0.067159 7 0.047304 8 -0.032968 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.83D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-6.06758E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.00013E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55131E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95941E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65915E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30946E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43477E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.64580E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1353798 0.2159606 0.9987598 c 3.31D-04 ED = -7.132874; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0073485 914.7711068** 3.76D-01 < 2s|9s1>= 3.0D-03 < 1s|9s1>= 5.4D-02 9s1 0.3884179 0.8506241 1.0034808** 3.18D-02 9d1 0.3888775 -0.0989121 0.9998074** 4.03D-04 <2ph|9p2>= 1.0D-02 9p2 0.5242173 -0.0044577 0.9999630** 4.48D-03 < 2s|9s2>=-5.9D-02 <3sh|9s2>= 1.1D-02 < 1s|9s2>= 5.2D-02 9s2 0.5264768 -1.1349138 0.9952817** 3.29D-02 <3dh|9d2>=-4.5D-03 9d2 0.5286099 -0.1607967 0.9994267** 1.45D-03 <2ph|9p3>=-1.5D-02 9p3 0.5324229 0.3177503 1.0001796** 6.66D-03 9f1 0.5252735 0.0221144 1.0000861** 3.57D-04 < 2s|9s1>= 7.4D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-2.9D-08 <3sh|9s2>=-5.9D-09 < 1s|9s2>=-2.2D-08 1 0.030135 2 0.203413 3 -0.265077 4 -0.047668 5 -0.032071 6 -0.067157 7 0.047311 8 -0.032976 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.14D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-6.06303E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99962E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55167E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95883E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65844E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30878E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43508E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65004E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351870 0.2158479 0.9994783 c 1.43D-03 ED = -7.164861; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073538 918.9041305** 3.76D-01 < 2s|9s1>=-3.6D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881742 0.8222526 1.0033431** 2.18D-02 9d1 0.3884957 -0.0988635 1.0000700** 1.46D-04 <2ph|9p2>= 1.1D-02 9p2 0.5237974 -0.0043663 1.0003181** 4.97D-03 < 2s|9s2>=-4.7D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 7.0D-02 9s2 0.5251482 -1.0888755 0.9974669** 3.36D-02 <3dh|9d2>=-4.4D-03 9d2 0.5278850 -0.1607204 1.0000357** 1.44D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320662 0.3173378 1.0003209** 7.49D-03 9f1 0.5250883 0.0221081 1.0000180** 1.27D-04 < 2s|9s1>= 4.9D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.8D-08 <3sh|9s2>= 3.6D-09 < 1s|9s2>= 1.3D-08 1 -0.030147 2 0.203407 3 -0.265101 4 -0.047667 5 -0.032063 6 -0.067156 7 0.047309 8 -0.032979 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-6.06262E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99979E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55180E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95886E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65941E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30899E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43529E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65251E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351515 0.2158198 0.9998697 c 2.62D-04 ED = -7.162279; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0073535 918.5535269** 3.76D-01 < 2s|9s1>=-4.0D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881654 0.8209891 1.0034178** 2.15D-02 9d1 0.3884654 -0.0988589 1.0000048** 9.35D-06 <2ph|9p2>= 1.1D-02 9p2 0.5238227 -0.0043117 1.0002671** 5.06D-03 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.8D-02 9s2 0.5252744 -1.0932244 0.9972950** 3.33D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279280 -0.1607190 0.9999541** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320648 0.3173291 1.0003107** 7.50D-03 9f1 0.5249453 0.0221056 1.0000088** 1.88D-05 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.3D-08 <3sh|9s2>= 2.7D-09 < 1s|9s2>= 1.0D-08 1 0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067154 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-6.06247E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55184E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95884E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65959E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43535E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65309E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351427 0.2158136 0.9999716 c 6.54D-05 ED = -7.162698; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073536 918.6119570** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881732 0.8216354 1.0034269** 2.17D-02 9d1 0.3884746 -0.0988581 1.0000007** 1.76D-06 <2ph|9p2>= 1.1D-02 9p2 0.5238414 -0.0043114 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.7D-02 9s2 0.5253170 -1.0956979 0.9971938** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279592 -0.1607195 0.9999515** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320824 0.3173215 1.0003112** 7.52D-03 9f1 0.5249430 0.0221053 1.0000005** 5.26D-06 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.0D-09 1 -0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067154 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-6.06238E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55185E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65959E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65323E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351403 0.2158122 0.9999932 c 1.72D-05 ED = -7.162721; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0073536 918.6145390** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881733 0.8216099 1.0034278** 2.17D-02 9d1 0.3884739 -0.0988578 1.0000004** 8.90D-07 <2ph|9p2>= 1.1D-02 9p2 0.5238425 -0.0043103 1.0002680** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253166 -1.0960030 0.9971793** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279621 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320832 0.3173183 1.0003117** 7.52D-03 9f1 0.5249397 0.0221052 1.0000003** 1.53D-06 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.8D-09 1 0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55185E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65959E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65327E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351398 0.2158119 0.9999985 c 3.57D-06 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073536 918.6131103** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216142 1.0034284** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000001** 1.34D-07 <2ph|9p2>= 1.1D-02 9p2 0.5238432 -0.0043100 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253180 -1.0961116 0.9971743** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279632 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320836 0.3173177 1.0003117** 7.52D-03 9f1 0.5249387 0.0221052 1.0000001** 2.74D-07 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 -0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65327E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 0.9999997 c 8.26D-07 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0073536 918.6131917** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034285** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 3.30D-08 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961351 0.9971732** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279635 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320837 0.3173175 1.0003118** 7.52D-03 9f1 0.5249386 0.0221052 1.0000000** 6.57D-08 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 0.9999999 c 1.91D-07 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073536 918.6131802** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216156 1.0034285** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 8.40D-09 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961398 0.9971730** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279635 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 1.53D-08 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 -0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 1.0000000 c 4.27D-08 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0073536 918.6131764** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034285** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 1.74D-09 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961409 0.9971729** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279636 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 3.34D-09 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 1.0000000 c 9.83D-09 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073536 918.6131764** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034286** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 4.09D-10 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961412 0.9971729** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279636 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 7.79D-10 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 -0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 1.0000000 c 2.25D-09 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0073536 918.6131763** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034286** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 9.44D-11 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961413 0.9971729** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279636 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 1.78D-10 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 1.0000000 c 5.11D-10 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073536 918.6131763** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034286** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 2.11D-11 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961413 0.9971729** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279636 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 4.04D-11 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 -0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 1.0000000 c 1.17D-10 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0073536 918.6131763** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034286** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 4.87D-12 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961413 0.9971729** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279636 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 9.26D-12 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 1.0000000 c 2.67D-11 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073536 918.6131763** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034286** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 1.11D-12 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961413 0.9971729** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279636 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 2.11D-12 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 -0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 1.0000000 c 6.03D-12 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0073536 918.6131763** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034286** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 2.51D-13 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961413 0.9971729** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279636 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 4.79D-13 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 1.0000000 c 1.37D-12 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073536 918.6131763** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034286** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 5.70D-14 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961413 0.9971729** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279636 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 1.09D-13 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 -0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 1.0000000 c 3.25D-13 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0073536 918.6131763** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034286** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 1.39D-14 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961413 0.9971729** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279636 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 2.51D-14 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-6.06236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-3.99982E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.55186E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95881E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65960E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.30901E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.43537E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.65328E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1351397 0.2158118 1.0000000 c 7.95D-14 ED = -7.162710; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0073536 918.6131763** 3.76D-01 < 2s|9s1>=-3.9D-03 < 1s|9s1>= 4.2D-02 9s1 0.3881735 0.8216157 1.0034286** 2.17D-02 9d1 0.3884739 -0.0988577 1.0000000** 2.66D-15 <2ph|9p2>= 1.1D-02 9p2 0.5238433 -0.0043099 1.0002679** 5.06D-03 < 2s|9s2>=-4.9D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>= 6.6D-02 9s2 0.5253183 -1.0961413 0.9971729** 3.31D-02 <3dh|9d2>=-4.3D-03 9d2 0.5279636 -0.1607194 0.9999529** 1.42D-03 <2ph|9p3>=-1.7D-02 9p3 0.5320838 0.3173175 1.0003118** 7.52D-03 9f1 0.5249385 0.0221052 1.0000000** 5.47D-15 < 2s|9s1>= 4.8D-08 < 1s|9s1>= 3.6D-08 < 2s|9s2>= 1.0D-08 <3sh|9s2>= 2.1D-09 < 1s|9s2>= 7.7D-09 1 -0.030145 2 0.203404 3 -0.265101 4 -0.047666 5 -0.032062 6 -0.067153 7 0.047308 8 -0.032980 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 *** CALCULATIONS FOR k^2 = 0.3400 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.027905 2 0.197709 3 -0.260401 4 -0.046642 5 -0.031700 6 -0.066536 7 0.046631 8 -0.032790 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-6.17742E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.11947E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.59148E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.97040E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.79312E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.32580E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.51442E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 8.86376E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 102points in CSOLVE. End of range: 27.453673935460 au. kpc 0.1301496 0.2081708 0.9645945 c 3.83D-02 ED = -7.489026; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0086720 916.0713399** 3.77D-01 < 2s|9s1>= 3.9D-01 < 1s|9s1>= 6.8D-01 9s1 0.4121400 2.0897067 1.5418062** 5.17D-01 9d1 0.4333232 -0.0955102 1.0115836** 2.70D-02 <2ph|9p2>=-1.4D-01 9p2 0.5281926 -0.0368790 1.0127141** 6.61D-02 < 2s|9s2>=-5.4D-01 <3sh|9s2>= 2.2D-02 < 1s|9s2>=-4.3D-01 9s2 0.5486243 -2.3632003 1.2781665** 4.71D-01 <3dh|9d2>=-3.7D-02 9d2 0.5494291 -0.1575285 1.0036669** 2.03D-02 <2ph|9p3>= 1.5D-01 9p3 0.5628458 0.3406999 1.0188663** 6.76D-02 9f1 0.6045887 0.0213567 1.0147103** 5.99D-02 < 2s|9s1>= 4.4D-07 < 1s|9s1>= 3.3D-07 < 2s|9s2>=-5.9D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.4D-07 1 0.031209 2 0.202493 3 -0.269301 4 -0.045541 5 -0.031585 6 -0.065956 7 0.047108 8 -0.034290 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.02D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-5.72697E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.15703E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73473E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90856E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.81423E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.35322E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.65729E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.68747E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1240496 0.2059179 0.9891774 c 4.92D-02 ED = -7.380909; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0088065 818.5014698** 3.78D-01 < 2s|9s1>=-3.2D-02 < 1s|9s1>= 2.4D-02 9s1 0.4064157 0.7206961 1.0030393** 3.76D-02 9d1 0.4066393 -0.0940612 1.0022564** 4.25D-03 <2ph|9p2>= 7.8D-03 9p2 0.5359653 -0.0011134 1.0007199** 7.43D-03 < 2s|9s2>= 8.4D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>= 2.2D-01 9s2 0.5210690 -0.5888506 1.0382442** 1.81D-01 <3dh|9d2>=-3.1D-03 9d2 0.5398741 -0.1572478 1.0016487** 3.03D-03 <2ph|9p3>=-1.3D-02 9p3 0.5464093 0.3130796 1.0002756** 9.29D-03 9f1 0.5486424 0.0208155 1.0025335** 5.70D-03 < 2s|9s1>=-2.9D-08 < 1s|9s1>=-2.2D-08 < 2s|9s2>= 9.9D-07 <3sh|9s2>= 2.0D-07 < 1s|9s2>= 7.3D-07 1 -0.031849 2 0.201195 3 -0.269596 4 -0.045212 5 -0.030698 6 -0.065590 7 0.046766 8 -0.034500 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.92D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-5.81964E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17661E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73636E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95425E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93752E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38593E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67173E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.84378E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1241938 0.2056840 0.9988644 c 1.16D-03 ED = -7.233674; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087181 801.6133529** 3.78D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 8.1D-02 9s1 0.4081770 0.8726861 1.0051065** 5.04D-02 9d1 0.4088307 -0.0942024 0.9996771** 6.64D-04 <2ph|9p2>= 1.4D-02 9p2 0.5436052 0.0008082 0.9999590** 6.32D-03 < 2s|9s2>=-6.4D-02 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 2.6D-02 9s2 0.5461240 -1.1729719 0.9947073** 2.80D-02 <3dh|9d2>=-4.4D-03 9d2 0.5492516 -0.1578157 0.9991883** 1.53D-03 <2ph|9p3>=-1.6D-02 9p3 0.5527908 0.3129624 1.0001552** 7.35D-03 9f1 0.5443956 0.0207869 1.0000473** 3.98D-04 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.4D-08 < 2s|9s2>=-7.3D-08 <3sh|9s2>=-1.5D-08 < 1s|9s2>=-5.4D-08 1 0.031674 2 0.201375 3 -0.269650 4 -0.045229 5 -0.030761 6 -0.065594 7 0.046779 8 -0.034508 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-5.81353E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17554E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73674E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95210E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93161E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38394E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67217E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.84642E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239632 0.2055572 0.9993835 c 1.86D-03 ED = -7.273371; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087273 805.9484383** 3.78D-01 < 2s|9s1>=-5.3D-04 < 1s|9s1>= 5.9D-02 9s1 0.4077969 0.8224618 1.0041713** 3.26D-02 9d1 0.4082781 -0.0941400 1.0000918** 1.89D-04 <2ph|9p2>= 1.6D-02 9p2 0.5428701 0.0009455 1.0004631** 7.00D-03 < 2s|9s2>=-4.3D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.9D-02 9s2 0.5438806 -1.0870310 0.9974054** 2.89D-02 <3dh|9d2>=-4.1D-03 9d2 0.5480704 -0.1577085 1.0000730** 1.38D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522021 0.3124056 1.0003887** 8.36D-03 9f1 0.5442068 0.0207797 1.0000233** 1.54D-04 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.0D-09 1 -0.031695 2 0.201358 3 -0.269679 4 -0.045227 5 -0.030748 6 -0.065592 7 0.046776 8 -0.034512 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-5.81369E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17592E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73688E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95237E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93338E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38438E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67243E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.84966E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239220 0.2055262 0.9998492 c 3.33D-04 ED = -7.269285; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087266 805.3933682** 3.78D-01 < 2s|9s1>=-7.3D-04 < 1s|9s1>= 5.8D-02 9s1 0.4077965 0.8219162 1.0042770** 3.24D-02 9d1 0.4082541 -0.0941359 1.0000034** 6.88D-06 <2ph|9p2>= 1.6D-02 9p2 0.5429314 0.0010155 1.0004010** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.6D-02 9s2 0.5441405 -1.0951267 0.9971416** 2.84D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481553 -0.1577089 0.9999532** 1.34D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522252 0.3124038 1.0003723** 8.36D-03 9f1 0.5440286 0.0207770 1.0000097** 2.12D-05 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.4D-08 < 2s|9s2>= 2.3D-09 <3sh|9s2>= 4.8D-10 < 1s|9s2>= 1.8D-09 1 0.031693 2 0.201354 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-5.81349E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17596E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73692E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95234E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67249E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85036E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239106 0.2055190 0.9999647 c 9.19D-05 ED = -7.269897; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087268 805.4552588** 3.78D-01 < 2s|9s1>=-5.9D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078045 0.8226236 1.0042929** 3.26D-02 9d1 0.4082623 -0.0941348 1.0000011** 2.61D-06 <2ph|9p2>= 1.6D-02 9p2 0.5429518 0.0010147 1.0004037** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.5D-02 9s2 0.5441827 -1.0980099 0.9970368** 2.83D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481875 -0.1577090 0.9999534** 1.34D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522442 0.3123931 1.0003737** 8.37D-03 9f1 0.5440245 0.0207766 1.0000008** 6.37D-06 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-6.5D-10 <3sh|9s2>=-1.3D-10 < 1s|9s2>=-4.7D-10 1 -0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-5.81338E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73694E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93355E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85055E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239076 0.2055172 0.9999914 c 2.44D-05 ED = -7.269906; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087269 805.4521615** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078048 0.8225933 1.0042939** 3.26D-02 9d1 0.4082614 -0.0941344 1.0000005** 1.05D-06 <2ph|9p2>= 1.6D-02 9p2 0.5429533 0.0010159 1.0004036** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441823 -1.0984669 0.9970179** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481911 -0.1577089 0.9999545** 1.34D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522452 0.3123894 1.0003743** 8.38D-03 9f1 0.5440200 0.0207765 1.0000004** 1.85D-06 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.1D-09 <3sh|9s2>=-2.2D-10 < 1s|9s2>=-8.3D-10 1 0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85060E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239069 0.2055168 0.9999981 c 5.26D-06 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087269 805.4499030** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226083 1.0042948** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000001** 1.61D-07 <2ph|9p2>= 1.6D-02 9p2 0.5429543 0.0010163 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441844 -1.0986409 0.9970108** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481928 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522460 0.3123886 1.0003744** 8.38D-03 9f1 0.5440187 0.0207764 1.0000001** 3.51D-07 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.6D-10 < 1s|9s2>=-9.6D-10 1 -0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239068 0.2055167 0.9999995 c 1.26D-06 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087269 805.4497464** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226098 1.0042949** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 4.58D-08 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010163 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441847 -1.0986755 0.9970093** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481931 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522461 0.3123884 1.0003744** 8.38D-03 9f1 0.5440185 0.0207764 1.0000000** 8.77D-08 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 0.9999999 c 2.93D-07 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087269 805.4496622** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226099 1.0042949** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 1.07D-08 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986833 0.9970090** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 2.01D-08 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 -0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 1.0000000 c 6.78D-08 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087269 805.4496457** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226100 1.0042950** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 2.37D-09 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986852 0.9970089** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 4.59D-09 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 1.0000000 c 1.60D-08 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087269 805.4496424** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226100 1.0042950** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 5.75D-10 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986856 0.9970089** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 1.09D-09 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 -0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 1.0000000 c 3.73D-09 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087269 805.4496415** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226100 1.0042950** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 1.33D-10 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986857 0.9970089** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 2.54D-10 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 1.0000000 c 8.72D-10 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087269 805.4496413** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226100 1.0042950** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 3.10D-11 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986857 0.9970089** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 5.95D-11 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 -0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 1.0000000 c 2.04D-10 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087269 805.4496412** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226100 1.0042950** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 7.29D-12 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986857 0.9970089** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 1.39D-11 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 1.0000000 c 4.76D-11 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087269 805.4496412** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226100 1.0042950** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 1.70D-12 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986857 0.9970089** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 3.25D-12 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 -0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 1.0000000 c 1.11D-11 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087269 805.4496412** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226100 1.0042950** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 3.98D-13 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986857 0.9970089** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 7.62D-13 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 1.0000000 c 2.56D-12 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087269 805.4496412** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226100 1.0042950** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 9.23D-14 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986857 0.9970089** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 1.75D-13 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 -0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 1.0000000 c 6.53D-13 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0087269 805.4496412** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226100 1.0042950** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 2.26D-14 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986857 0.9970089** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 4.41D-14 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-5.81336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.17595E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.73695E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.95230E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.93356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38439E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.67252E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 9.85061E-01 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1239067 0.2055167 1.0000000 c 1.54D-13 ED = -7.269893; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0087269 805.4496412** 3.78D-01 < 2s|9s1>=-6.1D-04 < 1s|9s1>= 5.9D-02 9s1 0.4078051 0.8226100 1.0042950** 3.26D-02 9d1 0.4082614 -0.0941343 1.0000000** 5.17D-15 <2ph|9p2>= 1.6D-02 9p2 0.5429545 0.0010164 1.0004035** 7.10D-03 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 5.4D-02 9s2 0.5441848 -1.0986857 0.9970089** 2.82D-02 <3dh|9d2>=-4.1D-03 9d2 0.5481932 -0.1577089 0.9999544** 1.35D-03 <2ph|9p3>=-1.9D-02 9p3 0.5522462 0.3123884 1.0003744** 8.38D-03 9f1 0.5440184 0.0207764 1.0000000** 1.01D-14 < 2s|9s1>= 7.3D-08 < 1s|9s1>= 5.5D-08 < 2s|9s2>=-1.3D-09 <3sh|9s2>=-2.7D-10 < 1s|9s2>=-9.9D-10 1 -0.031693 2 0.201355 3 -0.269679 4 -0.045225 5 -0.030747 6 -0.065590 7 0.046775 8 -0.034513 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.20D-02 *** CALCULATIONS FOR k^2 = 0.3200 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.029450 2 0.195751 3 -0.264852 4 -0.044274 5 -0.030402 6 -0.065000 7 0.046110 8 -0.034303 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-5.92045E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.29998E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.77973E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.96338E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.06919E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.40196E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.75502E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.00833E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 102points in CSOLVE. End of range: 27.453673935460 au. kpc 0.1182729 0.1976271 0.9616109 c 4.76D-02 ED = -6.827896; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0136116 586.1892241** 3.78D-01 < 2s|9s1>= 4.0D-01 < 1s|9s1>= 7.3D-01 9s1 0.4276996 2.1106339 1.7363206** 5.43D-01 9d1 0.4512832 -0.0908110 1.0117257** 2.79D-02 <2ph|9p2>=-1.3D-01 9p2 0.5402510 -0.0306307 1.0110426** 6.00D-02 < 2s|9s2>=-5.1D-01 <3sh|9s2>= 3.3D-02 < 1s|9s2>=-4.1D-01 9s2 0.5677655 -2.3041275 1.2322117** 4.49D-01 <3dh|9d2>=-3.4D-02 9d2 0.5649334 -0.1544823 1.0032629** 2.05D-02 <2ph|9p3>= 1.5D-01 9p3 0.5781067 0.3388817 1.0197161** 6.89D-02 9f1 0.6230780 0.0200132 1.0152976** 5.90D-02 < 2s|9s1>= 4.2D-07 < 1s|9s1>= 3.1D-07 < 2s|9s2>=-5.7D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.3D-07 1 0.043450 2 0.200053 3 -0.274047 4 -0.042987 5 -0.030300 6 -0.064187 7 0.046338 8 -0.036038 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.06D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-5.43355E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.34833E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.94892E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.87315E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.05245E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.42458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.90320E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.10910E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1054894 0.1955575 0.9895280 c 1.21D-01 ED = -6.640952; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0140074 393.6801779** 3.77D-01 < 2s|9s1>= 1.9D-03 < 1s|9s1>= 1.6D-01 9s1 0.4232938 0.9363583 1.0152306** 1.14D-01 9d1 0.4251309 -0.0893998 1.0024294** 4.70D-03 <2ph|9p2>= 3.1D-02 9p2 0.5492544 0.0085116 1.0014932** 1.75D-02 < 2s|9s2>= 1.0D-01 <3sh|9s2>= 3.5D-02 < 1s|9s2>= 2.0D-01 9s2 0.5317636 -0.5784528 1.0383240** 1.77D-01 <3dh|9d2>=-3.3D-03 9d2 0.5585338 -0.1545553 1.0013801** 2.79D-03 <2ph|9p3>=-1.8D-02 9p3 0.5663101 0.3098861 1.0004333** 1.22D-02 9f1 0.5644311 0.0194712 1.0027204** 5.97D-03 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.3D-07 < 2s|9s2>= 9.8D-07 <3sh|9s2>= 2.0D-07 < 1s|9s2>= 7.3D-07 1 -0.044940 2 0.199147 3 -0.274745 4 -0.042596 5 -0.029356 6 -0.063770 7 0.045943 8 -0.036352 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.21D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-5.52844E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36707E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95544E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92190E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.19215E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46314E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91874E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13269E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1051462 0.1953960 0.9991742 c 3.26D-03 ED = -6.473766; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0138694 380.1513372** 3.77D-01 < 2s|9s1>= 3.2D-02 < 1s|9s1>= 1.9D-01 9s1 0.4246766 1.0297389 1.0217480** 1.21D-01 9d1 0.4262715 -0.0895165 0.9997309** 5.52D-04 <2ph|9p2>= 4.0D-02 9p2 0.5579559 0.0111606 1.0010672** 1.74D-02 < 2s|9s2>=-7.8D-02 <3sh|9s2>= 2.2D-02 < 1s|9s2>=-5.3D-02 9s2 0.5598706 -1.2843895 0.9967221** 7.01D-02 <3dh|9d2>=-4.8D-03 9d2 0.5686087 -0.1552106 0.9991611** 1.58D-03 <2ph|9p3>=-3.0D-02 9p3 0.5732822 0.3082781 1.0006135** 1.37D-02 9f1 0.5568749 0.0194282 1.0001214** 5.04D-04 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.6D-07 < 2s|9s2>=-1.8D-07 <3sh|9s2>=-3.6D-08 < 1s|9s2>=-1.3D-07 1 0.044764 2 0.199337 3 -0.274917 4 -0.042622 5 -0.029429 6 -0.063796 7 0.045966 8 -0.036376 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.42D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-5.52637E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36750E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95578E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.91983E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18467E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46084E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91937E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13340E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1049150 0.1952568 0.9992874 c 2.20D-03 ED = -6.502046; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0138826 381.4739162** 3.77D-01 < 2s|9s1>= 7.8D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240644 0.9266376 1.0146995** 8.35D-02 9d1 0.4253035 -0.0894381 1.0001136** 2.26D-04 <2ph|9p2>= 4.3D-02 9p2 0.5568853 0.0116449 1.0017194** 1.93D-02 < 2s|9s2>=-4.4D-02 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 9.4D-04 9s2 0.5571486 -1.1489096 0.9965751** 2.34D-02 <3dh|9d2>=-4.2D-03 9d2 0.5667673 -0.1550712 1.0001207** 1.44D-03 <2ph|9p3>=-3.4D-02 9p3 0.5723252 0.3073740 1.0009818** 1.53D-02 9f1 0.5560622 0.0194163 1.0000481** 1.32D-04 < 2s|9s1>= 1.6D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-6.7D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.0D-08 1 -0.044805 2 0.199282 3 -0.274947 4 -0.042617 5 -0.029404 6 -0.063794 7 0.045962 8 -0.036383 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-5.52898E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95576E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92089E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18855E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46189E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91970E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13378E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048565 0.1952246 0.9998350 c 5.58D-04 ED = -6.498419; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0138804 381.0859098** 3.77D-01 < 2s|9s1>= 8.9D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240832 0.9306070 1.0151123** 8.48D-02 9d1 0.4253214 -0.0894368 0.9999981** 6.07D-06 <2ph|9p2>= 4.3D-02 9p2 0.5570472 0.0117281 1.0016645** 1.94D-02 < 2s|9s2>=-4.7D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-4.7D-03 9s2 0.5578139 -1.1628819 0.9964647** 2.78D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669658 -0.1550760 0.9999450** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724281 0.3074108 1.0009523** 1.52D-02 9f1 0.5558650 0.0194137 1.0000085** 2.45D-05 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.0D-08 <3sh|9s2>=-1.6D-08 < 1s|9s2>=-6.0D-08 1 0.044801 2 0.199284 3 -0.274948 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-5.52855E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36853E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95582E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92081E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18856E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91975E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13385E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048391 0.1952152 0.9999521 c 1.66D-04 ED = -6.499467; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0138812 381.1178110** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240824 0.9299874 1.0150832** 8.46D-02 9d1 0.4253151 -0.0894345 1.0000031** 6.32D-06 <2ph|9p2>= 4.3D-02 9p2 0.5570492 0.0117306 1.0016727** 1.94D-02 < 2s|9s2>=-4.7D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.1D-03 9s2 0.5577926 -1.1636755 0.9964733** 2.81D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669685 -0.1550738 0.9999551** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724303 0.3073892 1.0009578** 1.53D-02 9f1 0.5558526 0.0194132 1.0000016** 9.41D-06 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.1D-08 <3sh|9s2>=-1.6D-08 < 1s|9s2>=-6.0D-08 1 -0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-5.52847E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92079E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18860E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91978E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13388E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048345 0.1952130 0.9999888 c 4.43D-05 ED = -6.499414; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0138813 381.1056878** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240837 0.9301152 1.0150955** 8.46D-02 9d1 0.4253152 -0.0894341 1.0000004** 1.29D-06 <2ph|9p2>= 4.3D-02 9p2 0.5570542 0.0117327 1.0016718** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.5D-03 9s2 0.5578029 -1.1646136 0.9964621** 2.84D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669770 -0.1550739 0.9999533** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724341 0.3073863 1.0009582** 1.53D-02 9f1 0.5558453 0.0194130 1.0000005** 2.10D-06 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-5.52844E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91978E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048334 0.1952125 0.9999973 c 1.08D-05 ED = -6.499420; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0138813 381.1039592** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240840 0.9301177 1.0150967** 8.46D-02 9d1 0.4253150 -0.0894340 1.0000001** 2.99D-07 <2ph|9p2>= 4.3D-02 9p2 0.5570552 0.0117331 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578044 -1.1648422 0.9964588** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669788 -0.1550739 0.9999534** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724350 0.3073848 1.0009585** 1.53D-02 9f1 0.5558435 0.0194130 1.0000001** 5.44D-07 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 -0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048331 0.1952124 0.9999994 c 2.62D-06 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0138813 381.1033067** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301169 1.0150970** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 1.29D-06 <2ph|9p2>= 4.3D-02 9p2 0.5570555 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578049 -1.1648977 0.9964579** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669792 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073845 1.0009586** 1.53D-02 9f1 0.5558430 0.0194130 1.0000000** 1.24D-07 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 0.9999998 c 6.26D-07 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0138813 381.1031589** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301162 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 7.05D-08 <2ph|9p2>= 4.3D-02 9p2 0.5570555 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578050 -1.1649103 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669793 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558429 0.0194130 1.0000000** 2.91D-08 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 -0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 1.0000000 c 1.49D-07 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0138813 381.1031221** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301160 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 1.29D-06 <2ph|9p2>= 4.3D-02 9p2 0.5570556 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578051 -1.1649132 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669794 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558428 0.0194130 1.0000000** 6.89D-09 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 1.0000000 c 3.70D-08 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0138813 381.1031146** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301160 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 7.05D-08 <2ph|9p2>= 4.3D-02 9p2 0.5570556 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578051 -1.1649139 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669794 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558428 0.0194130 1.0000000** 1.70D-09 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 -0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 1.0000000 c 8.02D-09 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0138813 381.1031117** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301160 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 1.29D-06 <2ph|9p2>= 4.3D-02 9p2 0.5570556 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578051 -1.1649141 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669794 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558428 0.0194130 1.0000000** 3.80D-10 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 1.0000000 c 2.88D-09 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0138813 381.1031121** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301160 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 7.05D-08 <2ph|9p2>= 4.3D-02 9p2 0.5570556 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578051 -1.1649141 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669794 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558428 0.0194130 1.0000000** 1.25D-10 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 -0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 1.0000000 c 2.38D-10 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0138813 381.1031111** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301160 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 1.29D-06 <2ph|9p2>= 4.3D-02 9p2 0.5570556 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578051 -1.1649141 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669794 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558428 0.0194130 1.0000000** 1.96D-11 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 1.0000000 c 8.79D-10 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0138813 381.1031120** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301160 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 7.05D-08 <2ph|9p2>= 4.3D-02 9p2 0.5570556 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578051 -1.1649141 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669794 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558428 0.0194130 1.0000000** 3.29D-11 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 -0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 1.0000000 c 7.24D-10 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0138813 381.1031110** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301160 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 1.29D-06 <2ph|9p2>= 4.3D-02 9p2 0.5570556 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578051 -1.1649141 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669794 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558428 0.0194130 1.0000000** 2.68D-11 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 1.0000000 c 7.61D-10 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0138813 381.1031120** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301160 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 7.05D-08 <2ph|9p2>= 4.3D-02 9p2 0.5570556 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578051 -1.1649141 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669794 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558428 0.0194130 1.0000000** 2.81D-11 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 -0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 1.0000000 c 7.52D-10 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0138813 381.1031110** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301160 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 1.29D-06 <2ph|9p2>= 4.3D-02 9p2 0.5570556 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578051 -1.1649141 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669794 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558428 0.0194130 1.0000000** 2.78D-11 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-5.52843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.36854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-1.95585E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92078E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.46186E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.91979E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.13389E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1048330 0.1952124 1.0000000 c 7.55D-10 ED = -6.499418; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0138813 381.1031120** 3.77D-01 < 2s|9s1>= 8.7D-03 < 1s|9s1>= 1.4D-01 9s1 0.4240841 0.9301160 1.0150971** 8.46D-02 9d1 0.4253149 -0.0894339 1.0000000** 7.05D-08 <2ph|9p2>= 4.3D-02 9p2 0.5570556 0.0117333 1.0016719** 1.95D-02 < 2s|9s2>=-4.8D-02 <3sh|9s2>= 2.4D-02 < 1s|9s2>=-5.6D-03 9s2 0.5578051 -1.1649141 0.9964577** 2.85D-02 <3dh|9d2>=-4.2D-03 9d2 0.5669794 -0.1550739 0.9999535** 1.37D-03 <2ph|9p3>=-3.4D-02 9p3 0.5724352 0.3073844 1.0009586** 1.53D-02 9f1 0.5558428 0.0194130 1.0000000** 2.79D-11 < 2s|9s1>= 1.7D-07 < 1s|9s1>= 1.2D-07 < 2s|9s2>=-8.2D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.1D-08 1 -0.044802 2 0.199284 3 -0.274949 4 -0.042616 5 -0.029404 6 -0.063792 7 0.045961 8 -0.036384 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.69D-02 *** CALCULATIONS FOR k^2 = 0.3000 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.041813 2 0.193731 3 -0.269958 4 -0.041731 5 -0.029079 6 -0.063235 7 0.045317 8 -0.036142 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-5.62805E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.49804E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.00229E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.93206E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.32388E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.48016E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.00599E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.15954E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 101points in CSOLVE. End of range: 29.224283781235 au. kpc 0.1006861 0.1861839 0.9537504 c 4.12D-02 ED = -8.111287; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0089702 727.6707803** 3.66D-01 < 2s|9s1>= 3.8D-01 < 1s|9s1>= 7.3D-01 9s1 0.4386645 2.0727035 1.7038775** 5.36D-01 9d1 0.4632456 -0.0857488 1.0126882** 2.90D-02 <2ph|9p2>=-8.3D-02 9p2 0.5457381 -0.0161410 1.0069615** 4.33D-02 < 2s|9s2>=-3.2D-02 <3sh|9s2>= 5.4D-02 < 1s|9s2>= 3.9D-01 9s2 0.5761996 -0.4907903 1.0798611** 2.23D-01 <3dh|9d2>=-2.5D-02 9d2 0.5718932 -0.1511302 1.0037765** 1.92D-02 <2ph|9p3>= 1.5D-01 9p3 0.5869553 0.3357845 1.0192359** 6.71D-02 9f1 0.6320722 0.0185497 1.0164004** 5.96D-02 < 2s|9s1>= 4.1D-07 < 1s|9s1>= 3.0D-07 < 2s|9s2>= 1.3D-06 <3sh|9s2>= 2.7D-07 < 1s|9s2>= 9.8D-07 1 0.024345 2 0.194921 3 -0.277440 4 -0.039658 5 -0.028884 6 -0.062006 7 0.045157 8 -0.037734 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.04D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-5.19144E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.58424E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.19818E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.88374E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18327E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.48873E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.15641E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.27344E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1017365 0.1839839 0.9881841 c 1.03D-02 ED = -10.318880; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00914171240.9740531** 3.68D-01 < 2s|9s1>=-4.5D-02 < 1s|9s1>=-1.1D-02 9s1 0.4468001 0.5869723 1.0037426** 3.99D-02 9d1 0.4465751 -0.0846537 1.0014859** 3.11D-03 <2ph|9p2>= 8.8D-03 9p2 0.5760962 0.0122348 0.9996635** 9.98D-03 < 2s|9s2>= 9.2D-02 <3sh|9s2>= 2.2D-02 < 1s|9s2>= 2.2D-01 9s2 0.5574477 -0.5757953 1.0406366** 1.84D-01 <3dh|9d2>=-1.2D-03 9d2 0.5781363 -0.1514577 1.0008710** 2.13D-03 <2ph|9p3>=-9.3D-03 9p3 0.5853393 0.3068628 1.0000643** 9.38D-03 9f1 0.5893388 0.0180980 1.0017768** 4.68D-03 < 2s|9s1>=-1.2D-07 < 1s|9s1>=-9.0D-08 < 2s|9s2>= 1.0D-06 <3sh|9s2>= 2.0D-07 < 1s|9s2>= 7.4D-07 1 -0.025181 2 0.193800 3 -0.277565 4 -0.039288 5 -0.028053 6 -0.061568 7 0.044835 8 -0.037978 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.03D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-5.29258E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.60066E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20188E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92886E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30788E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52745E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17629E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.28933E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1017540 0.1837651 0.9988103 c 1.72D-04 ED = -10.020914; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00906661198.9908257** 3.68D-01 < 2s|9s1>= 3.9D-02 < 1s|9s1>= 1.3D-01 9s1 0.4483253 0.9278021 1.0091334** 9.26D-02 9d1 0.4488662 -0.0847960 0.9996696** 6.93D-04 <2ph|9p2>= 1.3D-02 9p2 0.5853193 0.0132605 0.9999776** 5.81D-03 < 2s|9s2>=-6.1D-02 <3sh|9s2>= 7.4D-03 < 1s|9s2>=-1.6D-02 9s2 0.5888633 -1.2189761 0.9950003** 4.34D-02 <3dh|9d2>=-3.4D-03 9d2 0.5893960 -0.1520633 0.9991522** 1.40D-03 <2ph|9p3>=-1.2D-02 9p3 0.5922225 0.3071515 1.0000800** 5.60D-03 9f1 0.5842309 0.0180732 1.0000096** 2.45D-04 < 2s|9s1>= 1.9D-07 < 1s|9s1>= 1.4D-07 < 2s|9s2>=-1.2D-07 <3sh|9s2>=-2.4D-08 < 1s|9s2>=-9.0D-08 1 0.025038 2 0.194141 3 -0.277686 4 -0.039330 5 -0.028153 6 -0.061597 7 0.044863 8 -0.037986 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.79D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-5.27795E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59700E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20252E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92428E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.29614E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52333E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17582E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.28940E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1014519 0.1836099 0.9991559 c 2.98D-03 ED = -10.078821; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00907871205.7105291** 3.68D-01 < 2s|9s1>= 8.9D-03 < 1s|9s1>= 7.1D-02 9s1 0.4476739 0.7942902 1.0035391** 4.50D-02 9d1 0.4479495 -0.0847125 1.0001323** 2.62D-04 <2ph|9p2>= 1.5D-02 9p2 0.5837120 0.0136485 1.0004256** 6.75D-03 < 2s|9s2>=-1.7D-02 <3sh|9s2>= 1.0D-02 < 1s|9s2>= 5.5D-02 9s2 0.5839678 -1.0363748 0.9995409** 2.57D-02 <3dh|9d2>=-2.7D-03 9d2 0.5872042 -0.1519114 1.0001476** 9.75D-04 <2ph|9p3>=-1.5D-02 9p3 0.5910349 0.3064033 1.0003044** 6.81D-03 9f1 0.5839257 0.0180626 1.0000483** 2.23D-04 < 2s|9s1>= 1.0D-07 < 1s|9s1>= 7.4D-08 < 2s|9s2>= 5.4D-08 <3sh|9s2>= 1.1D-08 < 1s|9s2>= 4.1D-08 1 -0.025069 2 0.194064 3 -0.277713 4 -0.039319 5 -0.028120 6 -0.061587 7 0.044854 8 -0.037995 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 9.23D-03 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-5.28117E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59843E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20267E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92565E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30107E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52472E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17640E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29006E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1014135 0.1835785 0.9998288 c 3.78D-04 ED = -10.067576; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00907631204.2125320** 3.68D-01 < 2s|9s1>= 1.2D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477478 0.8055371 1.0040217** 4.85D-02 9d1 0.4480094 -0.0847141 0.9999922** 1.73D-05 <2ph|9p2>= 1.5D-02 9p2 0.5840301 0.0137042 1.0003473** 6.70D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.1D-02 9s2 0.5850565 -1.0736577 0.9981794** 1.93D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875887 -0.1519263 0.9999468** 9.05D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912430 0.3064221 1.0002808** 6.69D-03 9f1 0.5836822 0.0180601 1.0000070** 2.41D-05 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.4D-08 <3sh|9s2>= 2.8D-09 < 1s|9s2>= 1.0D-08 1 0.025063 2 0.194069 3 -0.277712 4 -0.039319 5 -0.028123 6 -0.061586 7 0.044854 8 -0.037995 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.42D-03 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-5.28051E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59836E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20275E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92542E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30069E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17644E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29013E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013950 0.1835686 0.9999462 c 1.82D-04 ED = -10.069927; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00907691204.4787751** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477460 0.8045497 1.0039890** 4.82D-02 9d1 0.4480028 -0.0847114 1.0000037** 7.60D-06 <2ph|9p2>= 1.5D-02 9p2 0.5840207 0.0137009 1.0003591** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5849835 -1.0739462 0.9981613** 1.92D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875803 -0.1519232 0.9999698** 9.09D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912415 0.3063992 1.0002858** 6.75D-03 9f1 0.5836836 0.0180596 1.0000016** 1.06D-05 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.3D-08 <3sh|9s2>= 2.7D-09 < 1s|9s2>= 9.9D-09 1 -0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037995 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.36D-03 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-5.28042E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59837E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20278E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92539E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30073E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52459E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17647E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29017E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013909 0.1835663 0.9999873 c 4.03D-05 ED = -10.069759; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00907691204.4474309** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477486 0.8048426 1.0040001** 4.83D-02 9d1 0.4480036 -0.0847111 1.0000003** 7.48D-07 <2ph|9p2>= 1.5D-02 9p2 0.5840289 0.0137022 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850007 -1.0755763 0.9981047** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875924 -0.1519235 0.9999668** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912471 0.3063961 1.0002859** 6.75D-03 9f1 0.5836752 0.0180594 1.0000005** 1.93D-06 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.2D-08 <3sh|9s2>= 2.3D-09 < 1s|9s2>= 8.6D-09 1 0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-5.28038E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30073E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013898 0.1835657 0.9999968 c 1.06D-05 ED = -10.069794; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00907701204.4497536** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477492 0.8049040 1.0040019** 4.83D-02 9d1 0.4480038 -0.0847110 1.0000001** 2.62D-07 <2ph|9p2>= 1.5D-02 9p2 0.5840305 0.0137021 1.0003571** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850023 -1.0759273 0.9980915** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875948 -0.1519235 0.9999671** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912484 0.3063950 1.0002861** 6.75D-03 9f1 0.5836742 0.0180594 1.0000001** 5.51D-07 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.3D-09 < 1s|9s2>= 8.3D-09 1 -0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013896 0.1835656 0.9999992 c 2.61D-06 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00907701204.4493080** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049176 1.0040023** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 6.35D-08 <2ph|9p2>= 1.5D-02 9p2 0.5840308 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850028 -1.0760186 0.9980881** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875955 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912487 0.3063947 1.0002861** 6.75D-03 9f1 0.5836738 0.0180594 1.0000000** 1.35D-07 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.3D-09 1 0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 0.9999998 c 6.23D-07 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00907701204.4492142** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049216 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 1.42D-08 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760420 0.9980872** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875956 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836738 0.0180594 1.0000000** 3.18D-08 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 -0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 1.0000000 c 1.52D-07 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00907701204.4491966** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049225 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 3.68D-09 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760474 0.9980870** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875957 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836737 0.0180594 1.0000000** 7.84D-09 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 1.0000000 c 3.64D-08 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00907701204.4491908** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049227 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 8.50D-10 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760488 0.9980870** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875957 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836737 0.0180594 1.0000000** 1.86D-09 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 -0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 1.0000000 c 8.79D-09 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00907701204.4491891** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049227 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 2.09D-10 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760491 0.9980870** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875957 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836737 0.0180594 1.0000000** 4.52D-10 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 1.0000000 c 2.12D-09 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00907701204.4491892** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049227 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 5.00D-11 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760492 0.9980870** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875957 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836737 0.0180594 1.0000000** 1.07D-10 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 -0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 1.0000000 c 5.12D-10 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00907701204.4491887** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049227 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 4.81D-11 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760492 0.9980870** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875957 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836737 0.0180594 1.0000000** 9.11D-11 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 1.0000000 c 1.22D-10 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00907701204.4491891** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049227 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 4.81D-11 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760492 0.9980870** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875957 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836737 0.0180594 1.0000000** 9.11D-11 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 -0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 1.0000000 c 3.12D-11 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00907701204.4491887** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049227 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 4.81D-11 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760492 0.9980870** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875957 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836737 0.0180594 1.0000000** 9.11D-11 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 1.0000000 c 5.72D-12 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00907701204.4491891** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049227 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 4.81D-11 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760492 0.9980870** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875957 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836737 0.0180594 1.0000000** 9.11D-11 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 -0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 1.0000000 c 3.17D-12 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00907701204.4491887** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049227 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 4.81D-11 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760492 0.9980870** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875957 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836737 0.0180594 1.0000000** 9.11D-11 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-5.28037E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.59838E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.20279E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.92538E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30072E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52458E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.17648E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.29018E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.1013895 0.1835655 1.0000000 c 1.01D-12 ED = -10.069796; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00907701204.4491891** 3.68D-01 < 2s|9s1>= 1.1D-02 < 1s|9s1>= 7.6D-02 9s1 0.4477494 0.8049227 1.0040024** 4.84D-02 9d1 0.4480039 -0.0847110 1.0000000** 4.81D-11 <2ph|9p2>= 1.5D-02 9p2 0.5840310 0.0137021 1.0003570** 6.72D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 9.7D-03 < 1s|9s2>= 4.0D-02 9s2 0.5850029 -1.0760492 0.9980870** 1.90D-02 <3dh|9d2>=-2.8D-03 9d2 0.5875957 -0.1519235 0.9999672** 9.10D-04 <2ph|9p3>=-1.5D-02 9p3 0.5912488 0.3063946 1.0002861** 6.75D-03 9f1 0.5836737 0.0180594 1.0000000** 9.11D-11 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 1.1D-08 <3sh|9s2>= 2.2D-09 < 1s|9s2>= 8.2D-09 1 -0.025064 2 0.194068 3 -0.277713 4 -0.039318 5 -0.028122 6 -0.061585 7 0.044853 8 -0.037996 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.38D-03 *** CALCULATIONS FOR k^2 = 0.2800 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.023407 2 0.188751 3 -0.272652 4 -0.038534 5 -0.027800 6 -0.061056 7 0.044220 8 -0.037737 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-5.36987E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.73262E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.25301E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.93509E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.44024E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54404E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.26541E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.31915E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 100points in CSOLVE. End of range: 31.109088150968 au. kpc 0.0955848 0.1748485 0.9525129 c 6.07D-02 ED = -11.974535; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00767881699.6946059** 3.56D-01 < 2s|9s1>= 4.1D-01 < 1s|9s1>= 8.0D-01 9s1 0.4583724 2.1164705 2.1988179** 5.75D-01 9d1 0.4861918 -0.0811931 1.0125648** 2.96D-02 <2ph|9p2>=-1.0D-01 9p2 0.5655144 -0.0138887 1.0085105** 4.93D-02 < 2s|9s2>= 1.3D-01 <3sh|9s2>= 4.1D-02 < 1s|9s2>= 5.9D-01 9s2 0.6121495 0.2050065 1.2723434** 4.60D-01 <3dh|9d2>=-2.0D-02 9d2 0.5909373 -0.1481117 1.0030049** 2.02D-02 <2ph|9p3>= 1.9D-01 9p3 0.6016626 0.3387747 1.0250779** 7.75D-02 9f1 0.6613729 0.0172389 1.0165197** 5.83D-02 < 2s|9s1>= 3.6D-07 < 1s|9s1>= 2.7D-07 < 2s|9s2>=-7.3D-06 <3sh|9s2>=-1.5D-06 < 1s|9s2>=-5.4D-06 1 0.017425 2 0.188913 3 -0.280656 4 -0.036483 5 -0.027852 6 -0.059702 7 0.043893 8 -0.039585 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.09D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-4.87771E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86028E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.48758E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83883E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.22345E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.53312E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.42250E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.46080E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898620 0.1724125 0.9860677 c 6.37D-02 ED = -14.719497; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00782432277.5091432** 3.57D-01 < 2s|9s1>=-9.3D-02 < 1s|9s1>=-1.2D-01 9s1 0.4666474 0.3120701 1.0205275** 1.17D-01 9d1 0.4664359 -0.0798985 1.0020972** 4.25D-03 <2ph|9p2>= 1.5D-02 9p2 0.5919724 0.0222905 0.9997971** 1.52D-02 < 2s|9s2>= 2.0D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 3.6D-01 9s2 0.5642324 -0.1017649 1.1297810** 3.51D-01 <3dh|9d2>= 2.4D-03 9d2 0.5933642 -0.1484324 1.0013019** 2.97D-03 <2ph|9p3>=-9.0D-04 9p3 0.6007033 0.3060388 1.0001290** 8.85D-03 9f1 0.6129372 0.0167406 1.0022059** 5.65D-03 < 2s|9s1>=-7.6D-07 < 1s|9s1>=-5.6D-07 < 2s|9s2>= 1.1D-05 <3sh|9s2>= 2.2D-06 < 1s|9s2>= 8.1D-06 1 -0.018309 2 0.188022 3 -0.280639 4 -0.035870 5 -0.026718 6 -0.059015 7 0.043334 8 -0.039910 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.37D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-5.01393E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86768E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50074E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90296E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.37962E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58744E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44243E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49074E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0903500 0.1722555 0.9990893 c 5.40D-03 ED = -14.027788; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00773662165.7376427** 3.57D-01 < 2s|9s1>= 7.3D-02 < 1s|9s1>= 1.9D-01 9s1 0.4697816 1.0248024 1.0184020** 1.40D-01 9d1 0.4701768 -0.0801653 0.9994486** 1.18D-03 <2ph|9p2>= 6.0D-03 9p2 0.6080727 0.0211536 0.9996928** 3.95D-03 < 2s|9s2>=-8.5D-02 <3sh|9s2>= 2.3D-03 < 1s|9s2>=-7.8D-02 9s2 0.6138085 -1.3382413 0.9980904** 8.94D-02 <3dh|9d2>=-3.0D-03 9d2 0.6115918 -0.1494598 0.9986983** 2.16D-03 <2ph|9p3>=-6.3D-03 9p3 0.6124807 0.3066986 0.9998605** 4.07D-03 9f1 0.6061453 0.0167230 0.9999685** 3.49D-04 < 2s|9s1>= 2.4D-07 < 1s|9s1>= 1.8D-07 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 0.018134 2 0.188589 3 -0.280767 4 -0.035946 5 -0.026919 6 -0.059073 7 0.043382 8 -0.039905 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.62D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-4.98705E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.85953E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50116E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89203E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35096E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.57788E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44110E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.48965E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0899452 0.1720704 0.9989255 c 4.50D-03 ED = -14.163905; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00775182186.7704350** 3.57D-01 < 2s|9s1>= 9.7D-03 < 1s|9s1>= 5.8D-02 9s1 0.4687722 0.7437070 1.0017089** 3.90D-02 9d1 0.4689069 -0.0800484 1.0001972** 3.94D-04 <2ph|9p2>= 9.5D-03 9p2 0.6050163 0.0218800 1.0002830** 4.61D-03 < 2s|9s2>= 1.8D-04 <3sh|9s2>= 7.2D-03 < 1s|9s2>= 6.3D-02 9s2 0.6043205 -0.9861851 1.0016761** 3.73D-02 <3dh|9d2>=-1.9D-03 9d2 0.6077603 -0.1492267 1.0002608** 8.38D-04 <2ph|9p3>=-1.0D-02 9p3 0.6104488 0.3057589 1.0001951** 4.74D-03 9f1 0.6063546 0.0167112 1.0000637** 3.09D-04 < 2s|9s1>= 8.7D-08 < 1s|9s1>= 6.4D-08 < 2s|9s2>= 1.1D-07 <3sh|9s2>= 2.1D-08 < 1s|9s2>= 7.8D-08 1 -0.018180 2 0.188439 3 -0.280800 4 -0.035923 5 -0.026855 6 -0.059052 7 0.043366 8 -0.039920 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 7.36D-03 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-4.99539E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86256E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50137E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89543E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.36100E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58099E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44220E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49086E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0899261 0.1720411 0.9998301 c 2.12D-04 ED = -14.128357; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00774722181.1493528** 3.57D-01 < 2s|9s1>= 1.8D-02 < 1s|9s1>= 7.3D-02 9s1 0.4689266 0.7786855 1.0028567** 5.04D-02 9d1 0.4690458 -0.0800582 0.9999758** 5.24D-05 <2ph|9p2>= 9.7D-03 9p2 0.6057399 0.0219048 1.0001775** 4.26D-03 < 2s|9s2>=-1.9D-02 <3sh|9s2>= 6.1D-03 < 1s|9s2>= 3.2D-02 9s2 0.6067649 -1.0670449 0.9985461** 1.52D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085946 -0.1492646 0.9999267** 6.59D-04 <2ph|9p3>=-1.0D-02 9p3 0.6109080 0.3057993 1.0001614** 4.43D-03 9f1 0.6059075 0.0167086 1.0000047** 3.85D-05 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.4D-08 < 2s|9s2>= 1.3D-08 <3sh|9s2>= 2.6D-09 < 1s|9s2>= 9.5D-09 1 0.018170 2 0.188458 3 -0.280800 4 -0.035925 5 -0.026863 6 -0.059052 7 0.043367 8 -0.039920 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.49D-03 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-4.99393E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86223E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50145E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89484E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35966E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58054E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44214E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49087E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898987 0.1720279 0.9999233 c 3.04D-04 ED = -14.136071; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00774812182.3624953** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.0D-02 9s1 0.4689034 0.7713570 1.0026332** 4.78D-02 9d1 0.4690148 -0.0800530 1.0000081** 1.60D-05 <2ph|9p2>= 9.7D-03 9p2 0.6056502 0.0219100 1.0002010** 4.32D-03 < 2s|9s2>=-1.7D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.5D-02 9s2 0.6064296 -1.0581229 0.9988137** 1.61D-02 <3dh|9d2>=-2.0D-03 9d2 0.6084872 -0.1492555 0.9999854** 6.58D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108568 0.3057620 1.0001696** 4.52D-03 9f1 0.6059369 0.0167080 1.0000027** 1.66D-05 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.0D-08 < 2s|9s2>= 2.2D-08 <3sh|9s2>= 4.5D-09 < 1s|9s2>= 1.7D-08 1 -0.018172 2 0.188453 3 -0.280801 4 -0.035923 5 -0.026861 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.02D-03 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-4.99402E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86231E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50149E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89489E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35991E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58061E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44220E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49094E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898946 0.1720252 0.9999842 c 4.62D-05 ED = -14.135074; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00774802182.1973952** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689109 0.7729559 1.0026843** 4.84D-02 9d1 0.4690201 -0.0800530 0.9999996** 1.04D-06 <2ph|9p2>= 9.7D-03 9p2 0.6056778 0.0219099 1.0001960** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.4D-02 9s2 0.6065075 -1.0623570 0.9986771** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085221 -0.1492567 0.9999739** 6.60D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108748 0.3057610 1.0001689** 4.52D-03 9f1 0.6059194 0.0167078 1.0000005** 1.38D-06 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.8D-08 <3sh|9s2>= 3.6D-09 < 1s|9s2>= 1.3D-08 1 0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.12D-03 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-4.99394E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50150E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89486E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44220E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49094E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898929 0.1720244 0.9999952 c 1.88D-05 ED = -14.135365; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00774802182.2424923** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689112 0.7729175 1.0026818** 4.84D-02 9d1 0.4690197 -0.0800528 1.0000003** 6.24D-07 <2ph|9p2>= 9.7D-03 9p2 0.6056770 0.0219093 1.0001966** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.4D-02 9s2 0.6064989 -1.0625687 0.9986680** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085217 -0.1492565 0.9999758** 6.60D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108747 0.3057592 1.0001693** 4.53D-03 9f1 0.6059199 0.0167077 1.0000002** 9.06D-07 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 -0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.12D-03 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-4.99393E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898925 0.1720242 0.9999989 c 3.80D-06 ED = -14.135351; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00774802182.2397296** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689116 0.7730011 1.0026840** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 3.42D-08 <2ph|9p2>= 9.7D-03 9p2 0.6056781 0.0219092 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065012 -1.0628032 0.9986601** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085234 -0.1492566 0.9999755** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108756 0.3057590 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 1.43D-07 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.12D-03 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 0.9999997 c 1.11D-06 ED = -14.135362; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00774812182.2413883** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689116 0.7730108 1.0026842** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 2.66D-08 <2ph|9p2>= 9.7D-03 9p2 0.6056782 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065010 -1.0628389 0.9986588** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085235 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108756 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 5.03D-08 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 -0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 0.9999999 c 2.45D-07 ED = -14.135363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00774812182.2414262** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689117 0.7730155 1.0026843** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 3.30D-09 <2ph|9p2>= 9.7D-03 9p2 0.6056782 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065011 -1.0628522 0.9986583** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085236 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108757 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 1.01D-08 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 1.0000000 c 6.29D-08 ED = -14.135363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00774812182.2414945** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689117 0.7730164 1.0026843** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 1.25D-09 <2ph|9p2>= 9.7D-03 9p2 0.6056783 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065011 -1.0628549 0.9986582** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085236 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108757 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 2.78D-09 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 -0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 1.0000000 c 1.43D-08 ED = -14.135363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00774812182.2415015** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689117 0.7730167 1.0026843** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 2.17D-10 <2ph|9p2>= 9.7D-03 9p2 0.6056783 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065011 -1.0628556 0.9986582** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085236 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108757 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 6.04D-10 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 1.0000000 c 3.44D-09 ED = -14.135363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00774812182.2415047** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689117 0.7730167 1.0026843** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 6.19D-11 <2ph|9p2>= 9.7D-03 9p2 0.6056783 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065011 -1.0628558 0.9986582** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085236 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108757 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 1.51D-10 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 -0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 1.0000000 c 7.84D-10 ED = -14.135363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00774812182.2415052** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689117 0.7730167 1.0026843** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 1.24D-11 <2ph|9p2>= 9.7D-03 9p2 0.6056783 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065011 -1.0628559 0.9986582** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085236 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108757 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 3.37D-11 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 1.0000000 c 1.83D-10 ED = -14.135363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00774812182.2415053** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689117 0.7730167 1.0026843** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 3.12D-12 <2ph|9p2>= 9.7D-03 9p2 0.6056783 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065011 -1.0628559 0.9986582** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085236 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108757 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 8.01D-12 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 -0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 1.0000000 c 4.17D-11 ED = -14.135363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00774812182.2415053** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689117 0.7730167 1.0026843** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 6.66D-13 <2ph|9p2>= 9.7D-03 9p2 0.6056783 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065011 -1.0628559 0.9986582** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085236 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108757 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 1.81D-12 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 1.0000000 c 9.47D-12 ED = -14.135363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00774812182.2415054** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689117 0.7730167 1.0026843** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 1.55D-13 <2ph|9p2>= 9.7D-03 9p2 0.6056783 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065011 -1.0628559 0.9986582** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085236 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108757 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 4.15D-13 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 -0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 1.0000000 c 2.17D-12 ED = -14.135363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00774812182.2415054** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689117 0.7730167 1.0026843** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 3.53D-14 <2ph|9p2>= 9.7D-03 9p2 0.6056783 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065011 -1.0628559 0.9986582** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085236 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108757 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 9.36D-14 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-4.99392E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-4.86230E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.50151E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.89485E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.35985E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58059E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.44221E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.49095E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0898924 0.1720241 1.0000000 c 4.82D-13 ED = -14.135363; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00774812182.2415054** 3.57D-01 < 2s|9s1>= 1.6D-02 < 1s|9s1>= 7.1D-02 9s1 0.4689117 0.7730167 1.0026843** 4.84D-02 9d1 0.4690200 -0.0800527 1.0000000** 7.36D-15 <2ph|9p2>= 9.7D-03 9p2 0.6056783 0.0219091 1.0001964** 4.31D-03 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 6.2D-03 < 1s|9s2>= 3.3D-02 9s2 0.6065011 -1.0628559 0.9986582** 1.55D-02 <3dh|9d2>=-2.0D-03 9d2 0.6085236 -0.1492566 0.9999756** 6.61D-04 <2ph|9p3>=-1.0D-02 9p3 0.6108757 0.3057589 1.0001693** 4.53D-03 9f1 0.6059193 0.0167077 1.0000000** 2.15D-14 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 8.1D-08 < 2s|9s2>= 1.7D-08 <3sh|9s2>= 3.5D-09 < 1s|9s2>= 1.3D-08 1 -0.018171 2 0.188454 3 -0.280801 4 -0.035923 5 -0.026862 6 -0.059051 7 0.043366 8 -0.039921 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.13D-03 *** CALCULATIONS FOR k^2 = 0.2600 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.016992 2 0.183337 3 -0.275640 4 -0.035230 5 -0.026547 6 -0.058557 7 0.042754 8 -0.039634 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-5.07389E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.00292E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.55618E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.90382E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.50010E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.60101E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.53403E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.52367E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 100points in CSOLVE. End of range: 31.109088150968 au. kpc 0.0840640 0.1636359 0.9512383 c 6.93D-02 ED = -13.917864; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00994061932.6502365** 3.58D-01 < 2s|9s1>= 4.2D-01 < 1s|9s1>= 8.6D-01 9s1 0.4757953 2.1085632 3.2911691** 5.97D-01 9d1 0.5083663 -0.0767008 1.0122743** 2.99D-02 <2ph|9p2>=-1.1D-01 9p2 0.5824084 -0.0085880 1.0092247** 4.91D-02 < 2s|9s2>= 3.0D-01 <3sh|9s2>= 2.5D-02 < 1s|9s2>= 7.9D-01 9s2 0.6525916 1.0652792 1.9530097** 7.38D-01 <3dh|9d2>=-1.5D-02 9d2 0.6123903 -0.1454082 1.0021857** 2.14D-02 <2ph|9p3>= 2.2D-01 9p3 0.6177906 0.3437960 1.0309858** 8.38D-02 9f1 0.6857989 0.0159375 1.0164421** 5.78D-02 < 2s|9s1>= 2.8D-07 < 1s|9s1>= 2.1D-07 < 2s|9s2>=-2.5D-06 <3sh|9s2>=-5.1D-07 < 1s|9s2>=-1.9D-06 1 0.019172 2 0.180845 3 -0.284413 4 -0.033249 5 -0.026939 6 -0.057283 7 0.042388 8 -0.041733 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.09D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-4.52131E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.22491E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.83294E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.75407E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18097E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.55966E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.69098E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.69366E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0739637 0.1609535 0.9836075 c 1.37D-01 ED = -15.042524; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01020881705.8388032** 3.59D-01 < 2s|9s1>=-1.9D-01 < 1s|9s1>=-2.9D-01 9s1 0.4848920 -0.1651734 1.0973811** 2.58D-01 9d1 0.4845416 -0.0751091 1.0028970** 5.96D-03 <2ph|9p2>= 4.6D-02 9p2 0.6018461 0.0399040 1.0009344** 3.24D-02 < 2s|9s2>= 3.0D-01 <3sh|9s2>= 3.4D-02 < 1s|9s2>= 4.7D-01 9s2 0.5583663 0.3395948 1.2711826** 5.05D-01 <3dh|9d2>= 7.3D-03 9d2 0.6048474 -0.1454470 1.0022535** 4.51D-03 <2ph|9p3>=-1.6D-03 9p3 0.6144219 0.3055122 1.0006327** 1.45D-02 9f1 0.6341610 0.0153900 1.0025903** 6.86D-03 < 2s|9s1>= 3.3D-06 < 1s|9s1>= 2.4D-06 < 2s|9s2>=-4.6D-06 <3sh|9s2>=-9.3D-07 < 1s|9s2>=-3.4D-06 1 -0.020811 2 0.181459 3 -0.284148 4 -0.032280 5 -0.025355 6 -0.056223 7 0.041426 8 -0.042196 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.37D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-4.71417E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.18193E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86643E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.84935E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.37307E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.63910E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70289E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74930E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0752081 0.1609720 1.0001146 c 1.65D-02 ED = -13.898519; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01003221570.3772216** 3.59D-01 < 2s|9s1>= 2.1D-01 < 1s|9s1>= 5.1D-01 9s1 0.4900846 1.6026050 1.1908273** 3.73D-01 9d1 0.4906814 -0.0756174 0.9990212** 2.21D-03 <2ph|9p2>= 8.3D-03 9p2 0.6302968 0.0327944 0.9997507** 6.72D-03 < 2s|9s2>=-1.8D-01 <3sh|9s2>=-9.1D-04 < 1s|9s2>=-2.7D-01 9s2 0.6432325 -1.7161231 1.0386313** 2.40D-01 <3dh|9d2>=-4.5D-03 9d2 0.6358109 -0.1472210 0.9978255** 3.82D-03 <2ph|9p3>=-9.0D-03 9p3 0.6351067 0.3082106 0.9997197** 7.48D-03 9f1 0.6238886 0.0153922 0.9998890** 6.70D-04 < 2s|9s1>= 3.7D-07 < 1s|9s1>= 2.8D-07 < 2s|9s2>=-4.1D-07 <3sh|9s2>=-8.4D-08 < 1s|9s2>=-3.1D-07 1 0.020378 2 0.182707 3 -0.284370 4 -0.032466 5 -0.025819 6 -0.056395 7 0.041547 8 -0.042147 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.76D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-4.64149E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.15937E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86596E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.82154E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.30367E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.61452E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.69810E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74395E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0745887 0.1606941 0.9982735 c 8.30D-03 ED = -14.187915; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01007961603.4165089** 3.59D-01 < 2s|9s1>= 1.8D-02 < 1s|9s1>= 1.0D-01 9s1 0.4880049 0.7868623 1.0046629** 7.31D-02 9d1 0.4881666 -0.0753885 1.0004355** 9.37D-04 <2ph|9p2>= 1.8D-02 9p2 0.6219887 0.0355676 1.0004736** 9.38D-03 < 2s|9s2>= 3.1D-02 <3sh|9s2>= 1.1D-02 < 1s|9s2>= 9.7D-02 9s2 0.6174754 -0.8534831 1.0082786** 7.44D-02 <3dh|9d2>=-1.3D-03 9d2 0.6260930 -0.1467421 1.0006319** 1.17D-03 <2ph|9p3>=-1.4D-02 9p3 0.6297729 0.3065184 1.0003298** 7.65D-03 9f1 0.6256582 0.0153709 1.0001353** 5.98D-04 < 2s|9s1>= 1.4D-07 < 1s|9s1>= 1.0D-07 < 2s|9s2>= 2.6D-07 <3sh|9s2>= 5.3D-08 < 1s|9s2>= 1.9D-07 1 -0.020575 2 0.182274 3 -0.284399 4 -0.032384 5 -0.025606 6 -0.056316 7 0.041488 8 -0.042194 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.34D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-4.67668E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16833E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86654E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83516E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33760E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62624E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70138E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74780E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746828 0.1607009 1.0000426 c 1.26D-03 ED = -14.055633; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01005801587.8809358** 3.59D-01 < 2s|9s1>= 7.3D-02 < 1s|9s1>= 2.2D-01 9s1 0.4885588 1.0305477 1.0244686** 1.57D-01 9d1 0.4888051 -0.0754484 0.9998762** 2.74D-04 <2ph|9p2>= 1.6D-02 9p2 0.6250057 0.0350135 1.0003381** 7.15D-03 < 2s|9s2>=-3.7D-02 <3sh|9s2>= 6.8D-03 < 1s|9s2>=-1.4D-02 9s2 0.6274697 -1.1425673 0.9970767** 2.85D-02 <3dh|9d2>=-2.4D-03 9d2 0.6294920 -0.1469070 0.9997591** 7.60D-04 <2ph|9p3>=-1.4D-02 9p3 0.6317158 0.3068536 1.0002337** 6.04D-03 9f1 0.6243398 0.0153709 0.9999817** 1.29D-04 < 2s|9s1>= 2.5D-07 < 1s|9s1>= 1.9D-07 < 2s|9s2>=-8.1D-08 <3sh|9s2>=-1.6D-08 < 1s|9s2>=-6.0D-08 1 0.020520 2 0.182413 3 -0.284411 4 -0.032406 5 -0.025662 6 -0.056337 7 0.041503 8 -0.042186 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.86D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-4.66761E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16570E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86643E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83174E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.32891E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62321E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70049E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74708E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746126 0.1606705 0.9998107 c 9.42D-04 ED = -14.093179; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01006401592.1794409** 3.59D-01 < 2s|9s1>= 5.1D-02 < 1s|9s1>= 1.7D-01 9s1 0.4883498 0.9327172 1.0142583** 1.22D-01 9d1 0.4885525 -0.0754235 1.0000471** 1.01D-04 <2ph|9p2>= 1.7D-02 9p2 0.6240971 0.0352627 1.0004005** 7.62D-03 < 2s|9s2>=-1.4D-02 <3sh|9s2>= 8.1D-03 < 1s|9s2>= 2.5D-02 9s2 0.6245338 -1.0444410 0.9989402** 1.13D-02 <3dh|9d2>=-2.0D-03 9d2 0.6284230 -0.1468516 1.0000474** 6.74D-04 <2ph|9p3>=-1.4D-02 9p3 0.6311375 0.3066770 1.0002708** 6.36D-03 9f1 0.6246062 0.0153690 1.0000130** 6.33D-05 < 2s|9s1>= 2.1D-07 < 1s|9s1>= 1.6D-07 < 2s|9s2>= 1.3D-08 <3sh|9s2>= 2.6D-09 < 1s|9s2>= 9.6D-09 1 -0.020540 2 0.182362 3 -0.284413 4 -0.032398 5 -0.025640 6 -0.056329 7 0.041497 8 -0.042191 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.22D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-4.67108E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16676E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86650E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83305E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33231E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62437E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70087E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74746E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746205 0.1606714 1.0000055 c 1.06D-04 ED = -14.079918; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01006191590.6156058** 3.59D-01 < 2s|9s1>= 5.8D-02 < 1s|9s1>= 1.8D-01 9s1 0.4884138 0.9609743 1.0168963** 1.32D-01 9d1 0.4886243 -0.0754299 0.9999867** 2.94D-05 <2ph|9p2>= 1.7D-02 9p2 0.6244144 0.0351981 1.0003848** 7.44D-03 < 2s|9s2>=-2.2D-02 <3sh|9s2>= 7.7D-03 < 1s|9s2>= 1.2D-02 9s2 0.6255754 -1.0777429 0.9980786** 9.39D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287870 -0.1468686 0.9999523** 6.97D-04 <2ph|9p3>=-1.4D-02 9p3 0.6313399 0.3067153 1.0002620** 6.23D-03 9f1 0.6244762 0.0153690 0.9999978** 1.45D-05 < 2s|9s1>= 2.3D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-2.1D-08 <3sh|9s2>=-4.3D-09 < 1s|9s2>=-1.6D-08 1 0.020533 2 0.182377 3 -0.284413 4 -0.032400 5 -0.025647 6 -0.056331 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.40D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-4.67001E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16646E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86650E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83264E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33130E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62402E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70077E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74738E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746131 0.1606683 0.9999813 c 9.95D-05 ED = -14.084118; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01006261591.0942584** 3.59D-01 < 2s|9s1>= 5.5D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883935 0.9513619 1.0159759** 1.28D-01 9d1 0.4885994 -0.0754273 1.0000049** 1.05D-05 <2ph|9p2>= 1.7D-02 9p2 0.6243191 0.0352213 1.0003906** 7.50D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.6D-02 9s2 0.6252593 -1.0680109 0.9983056** 9.63D-03 <3dh|9d2>=-2.1D-03 9d2 0.6286765 -0.1468628 0.9999825** 6.89D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312797 0.3066977 1.0002655** 6.28D-03 9f1 0.6245080 0.0153688 1.0000013** 6.54D-06 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.1D-08 <3sh|9s2>=-2.3D-09 < 1s|9s2>=-8.5D-09 1 -0.020535 2 0.182372 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.34D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-4.67034E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16656E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83277E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33164E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62414E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70081E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74742E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746140 0.1606685 1.0000011 c 1.20D-05 ED = -14.082782; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01006241590.9363747** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4884005 0.9544987 1.0162740** 1.30D-01 9d1 0.4886073 -0.0754280 0.9999986** 3.13D-06 <2ph|9p2>= 1.7D-02 9p2 0.6243522 0.0352139 1.0003888** 7.48D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.4D-02 9s2 0.6253661 -1.0716285 0.9982185** 9.52D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287149 -0.1468647 0.9999727** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6313009 0.3067020 1.0002645** 6.27D-03 9f1 0.6244953 0.0153688 0.9999997** 1.57D-06 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.5D-08 <3sh|9s2>=-3.0D-09 < 1s|9s2>=-1.1D-08 1 0.020535 2 0.182374 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-4.67023E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16653E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83272E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33153E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62410E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746132 0.1606682 0.9999983 c 9.80D-06 ED = -14.083234; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01006241590.9879077** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883985 0.9535348 1.0161821** 1.29D-01 9d1 0.4886048 -0.0754277 1.0000005** 1.08D-06 <2ph|9p2>= 1.7D-02 9p2 0.6243422 0.0352161 1.0003893** 7.49D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253324 -1.0706315 0.9982421** 9.54D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287033 -0.1468641 0.9999758** 6.91D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312946 0.3067003 1.0002649** 6.27D-03 9f1 0.6244989 0.0153688 1.0000001** 6.62D-07 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.8D-09 < 1s|9s2>=-1.0D-08 1 -0.020535 2 0.182373 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-4.67026E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16654E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83274E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33156E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62411E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746133 0.1606683 1.0000002 c 1.51D-06 ED = -14.083096; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01006241590.9717081** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883992 0.9538715 1.0162141** 1.29D-01 9d1 0.4886056 -0.0754278 0.9999998** 3.32D-07 <2ph|9p2>= 1.7D-02 9p2 0.6243456 0.0352153 1.0003891** 7.48D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253434 -1.0710115 0.9982330** 9.53D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287074 -0.1468642 0.9999748** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312968 0.3067007 1.0002648** 6.27D-03 9f1 0.6244977 0.0153688 1.0000000** 1.71D-07 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.9D-09 < 1s|9s2>=-1.1D-08 1 0.020535 2 0.182374 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-4.67025E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16654E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83273E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33155E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62411E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746133 0.1606682 0.9999998 c 9.36D-07 ED = -14.083144; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01006241590.9771621** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883990 0.9537722 1.0162047** 1.29D-01 9d1 0.4886054 -0.0754278 1.0000001** 1.12D-07 <2ph|9p2>= 1.7D-02 9p2 0.6243445 0.0352156 1.0003892** 7.49D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253399 -1.0709065 0.9982355** 9.53D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287061 -0.1468642 0.9999752** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312961 0.3067006 1.0002648** 6.27D-03 9f1 0.6244981 0.0153688 1.0000000** 6.65D-08 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.9D-09 < 1s|9s2>=-1.1D-08 1 -0.020535 2 0.182373 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-4.67025E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16654E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83273E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33155E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62411E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746133 0.1606683 1.0000000 c 1.87D-07 ED = -14.083130; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01006241590.9754777** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883991 0.9538076 1.0162080** 1.29D-01 9d1 0.4886054 -0.0754278 1.0000000** 3.52D-08 <2ph|9p2>= 1.7D-02 9p2 0.6243449 0.0352155 1.0003892** 7.49D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253410 -1.0709457 0.9982346** 9.53D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287066 -0.1468642 0.9999750** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312963 0.3067006 1.0002648** 6.27D-03 9f1 0.6244980 0.0153688 1.0000000** 1.87D-08 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.9D-09 < 1s|9s2>=-1.1D-08 1 0.020535 2 0.182373 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-4.67025E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16654E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83273E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33155E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62411E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746133 0.1606683 1.0000000 c 8.91D-08 ED = -14.083135; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01006241590.9760490** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883991 0.9537972 1.0162070** 1.29D-01 9d1 0.4886054 -0.0754278 1.0000000** 1.16D-08 <2ph|9p2>= 1.7D-02 9p2 0.6243448 0.0352155 1.0003892** 7.49D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253406 -1.0709345 0.9982348** 9.53D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287064 -0.1468642 0.9999751** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312963 0.3067006 1.0002648** 6.27D-03 9f1 0.6244980 0.0153688 1.0000000** 6.71D-09 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.9D-09 < 1s|9s2>=-1.1D-08 1 -0.020535 2 0.182373 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-4.67025E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16654E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83273E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33155E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62411E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746133 0.1606683 1.0000000 c 2.21D-08 ED = -14.083133; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01006241590.9758725** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883991 0.9538008 1.0162074** 1.29D-01 9d1 0.4886054 -0.0754278 1.0000000** 3.71D-09 <2ph|9p2>= 1.7D-02 9p2 0.6243448 0.0352155 1.0003892** 7.49D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253408 -1.0709385 0.9982347** 9.53D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287065 -0.1468642 0.9999751** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312963 0.3067006 1.0002648** 6.27D-03 9f1 0.6244980 0.0153688 1.0000000** 2.02D-09 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.9D-09 < 1s|9s2>=-1.1D-08 1 0.020535 2 0.182373 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-4.67025E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16654E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83273E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33155E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62411E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746133 0.1606683 1.0000000 c 8.62D-09 ED = -14.083134; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01006241590.9759320** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883991 0.9537997 1.0162073** 1.29D-01 9d1 0.4886054 -0.0754278 1.0000000** 1.20D-09 <2ph|9p2>= 1.7D-02 9p2 0.6243448 0.0352155 1.0003892** 7.49D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253407 -1.0709373 0.9982348** 9.53D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287065 -0.1468642 0.9999751** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312963 0.3067006 1.0002648** 6.27D-03 9f1 0.6244980 0.0153688 1.0000000** 6.84D-10 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.9D-09 < 1s|9s2>=-1.1D-08 1 -0.020535 2 0.182373 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-4.67025E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16654E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83273E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33155E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62411E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746133 0.1606683 1.0000000 c 2.50D-09 ED = -14.083134; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01006241590.9759135** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883991 0.9538001 1.0162073** 1.29D-01 9d1 0.4886054 -0.0754278 1.0000000** 3.90D-10 <2ph|9p2>= 1.7D-02 9p2 0.6243448 0.0352155 1.0003892** 7.49D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253407 -1.0709377 0.9982348** 9.53D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287065 -0.1468642 0.9999751** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312963 0.3067006 1.0002648** 6.27D-03 9f1 0.6244980 0.0153688 1.0000000** 2.16D-10 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.9D-09 < 1s|9s2>=-1.1D-08 1 0.020535 2 0.182373 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-4.67025E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16654E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83273E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33155E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62411E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746133 0.1606683 1.0000000 c 8.53D-10 ED = -14.083134; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01006241590.9759197** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883991 0.9538000 1.0162073** 1.29D-01 9d1 0.4886054 -0.0754278 1.0000000** 1.26D-10 <2ph|9p2>= 1.7D-02 9p2 0.6243448 0.0352155 1.0003892** 7.49D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253407 -1.0709376 0.9982348** 9.53D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287065 -0.1468642 0.9999751** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312963 0.3067006 1.0002648** 6.27D-03 9f1 0.6244980 0.0153688 1.0000000** 7.04D-11 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.9D-09 < 1s|9s2>=-1.1D-08 1 -0.020535 2 0.182373 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-4.67025E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16654E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83273E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33155E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62411E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746133 0.1606683 1.0000000 c 2.73D-10 ED = -14.083134; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01006241590.9759177** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883991 0.9538000 1.0162073** 1.29D-01 9d1 0.4886054 -0.0754278 1.0000000** 4.09D-11 <2ph|9p2>= 1.7D-02 9p2 0.6243448 0.0352155 1.0003892** 7.49D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253407 -1.0709377 0.9982348** 9.53D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287065 -0.1468642 0.9999751** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312963 0.3067006 1.0002648** 6.27D-03 9f1 0.6244980 0.0153688 1.0000000** 2.29D-11 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.9D-09 < 1s|9s2>=-1.1D-08 1 0.020535 2 0.182373 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-4.67025E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.16654E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.86651E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.83273E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.33155E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62411E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.70080E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.74741E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0746133 0.1606683 1.0000000 c 8.64D-11 ED = -14.083134; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01006241590.9759184** 3.59D-01 < 2s|9s1>= 5.6D-02 < 1s|9s1>= 1.8D-01 9s1 0.4883991 0.9538000 1.0162073** 1.29D-01 9d1 0.4886054 -0.0754278 1.0000000** 1.31D-11 <2ph|9p2>= 1.7D-02 9p2 0.6243448 0.0352155 1.0003892** 7.49D-03 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 7.8D-03 < 1s|9s2>= 1.5D-02 9s2 0.6253407 -1.0709376 0.9982348** 9.53D-03 <3dh|9d2>=-2.1D-03 9d2 0.6287065 -0.1468642 0.9999751** 6.92D-04 <2ph|9p3>=-1.4D-02 9p3 0.6312963 0.3067006 1.0002648** 6.27D-03 9f1 0.6244980 0.0153688 1.0000000** 7.31D-12 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.7D-07 < 2s|9s2>=-1.4D-08 <3sh|9s2>=-2.9D-09 < 1s|9s2>=-1.1D-08 1 -0.020535 2 0.182373 3 -0.284413 4 -0.032399 5 -0.025645 6 -0.056330 7 0.041498 8 -0.042190 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.36D-02 *** CALCULATIONS FOR k^2 = 0.2400 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.019234 2 0.177444 3 -0.279130 4 -0.031792 5 -0.025343 6 -0.055873 7 0.040916 8 -0.041868 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-4.74049E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.31502E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-2.92634E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.84147E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.46922E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.64517E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.79539E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.78453E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 99points in CSOLVE. End of range: 33.115451958692 au. kpc 0.0690574 0.1516752 0.9440270 c 8.05D-02 ED = -16.806944; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00791542394.9566584** 3.46D-01 < 2s|9s1>= 4.1D-01 < 1s|9s1>= 8.8D-01 9s1 0.4871874 2.0859293 3.9314715** 6.02D-01 9d1 0.5232186 -0.0719324 1.0129369** 3.13D-02 <2ph|9p2>=-6.7D-02 9p2 0.5895263 0.0095298 1.0068230** 3.54D-02 < 2s|9s2>= 4.1D-01 <3sh|9s2>= 1.1D-02 < 1s|9s2>= 8.8D-01 9s2 0.6765819 1.7225547 4.8843053** 9.36D-01 <3dh|9d2>=-2.3D-03 9d2 0.6227158 -0.1423668 1.0025878** 2.18D-02 <2ph|9p3>= 2.3D-01 9p3 0.6240748 0.3488058 1.0347661** 8.75D-02 9f1 0.6994484 0.0145813 1.0169991** 5.71D-02 < 2s|9s1>= 2.2D-07 < 1s|9s1>= 1.6D-07 < 2s|9s2>=-2.3D-06 <3sh|9s2>=-4.6D-07 < 1s|9s2>=-1.7D-06 1 0.012031 2 0.171326 3 -0.287004 4 -0.029523 5 -0.025529 6 -0.054382 7 0.040155 8 -0.043971 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.07D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-4.16726E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.64280E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.25409E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.69919E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.09013E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.58642E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.93441E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.99525E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0612926 0.1489457 0.9820048 c 1.27D-01 ED = -23.885058; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00812663810.7946723** 3.49D-01 < 2s|9s1>=-3.7D-01 < 1s|9s1>=-7.9D-01 9s1 0.5049900 -1.4751039 2.1897244** 6.77D-01 9d1 0.5041867 -0.0703685 1.0030056** 6.73D-03 <2ph|9p2>= 6.4D-02 9p2 0.6146921 0.0631329 1.0008343** 4.77D-02 < 2s|9s2>= 3.3D-01 <3sh|9s2>= 4.1D-02 < 1s|9s2>= 4.7D-01 9s2 0.5478950 0.4617996 1.3445062** 5.62D-01 <3dh|9d2>= 1.2D-02 9d2 0.6161771 -0.1427199 1.0024983** 5.80D-03 <2ph|9p3>= 5.5D-03 9p3 0.6283666 0.3080529 1.0011986** 2.31D-02 9f1 0.6591143 0.0140594 1.0023826** 7.13D-03 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 7.9D-07 < 2s|9s2>=-3.5D-06 <3sh|9s2>=-7.0D-07 < 1s|9s2>=-2.6D-06 1 -0.013868 2 0.171475 3 -0.286590 4 -0.028318 5 -0.023879 6 -0.053041 7 0.039056 8 -0.044588 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.27D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-4.49598E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.60268E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.30814E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80386E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.23784E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.67524E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.95225E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.06953E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0631588 0.1490941 1.0009964 c 2.95D-02 ED = -20.772887; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00795343302.1863951** 3.49D-01 < 2s|9s1>= 3.9D-01 < 1s|9s1>= 9.1D-01 9s1 0.5115543 2.0458179 5.5732937** 6.08D-01 9d1 0.5123106 -0.0713289 0.9974948** 6.36D-03 <2ph|9p2>=-4.0D-02 9p2 0.6740913 0.0236561 1.0043610** 3.79D-02 < 2s|9s2>=-4.3D-01 <3sh|9s2>=-1.2D-02 < 1s|9s2>=-8.3D-01 9s2 0.7457931 -2.3492691 2.5199347** 6.03D-01 <3dh|9d2>=-1.3D-02 9d2 0.6764448 -0.1445489 0.9964131** 8.29D-03 <2ph|9p3>=-1.4D-02 9p3 0.6674714 0.3123401 1.0018394** 2.84D-02 9f1 0.6324906 0.0141569 0.9993141** 3.61D-03 < 2s|9s1>= 1.5D-07 < 1s|9s1>= 1.1D-07 < 2s|9s2>=-5.8D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.3D-07 1 0.011761 2 0.168055 3 -0.286847 4 -0.029417 5 -0.026337 6 -0.054145 7 0.040173 8 -0.044027 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.04D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-4.11991E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.74557E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.26521E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.60978E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.90302E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52934E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.96003E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.00000E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0587873 0.1481922 0.9939503 c 7.44D-02 ED = -24.523904; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00818153894.2126746** 3.49D-01 < 2s|9s1>=-3.6D-01 < 1s|9s1>=-7.3D-01 9s1 0.5061876 -1.3065963 1.8407287** 6.15D-01 9d1 0.5047717 -0.0701699 1.0028925** 6.61D-03 <2ph|9p2>= 6.8D-02 9p2 0.6165856 0.0619542 1.0023149** 4.85D-02 < 2s|9s2>= 2.9D-01 <3sh|9s2>= 4.2D-02 < 1s|9s2>= 3.6D-01 9s2 0.5589198 0.1489175 1.1771587** 4.07D-01 <3dh|9d2>= 1.2D-02 9d2 0.6183962 -0.1423459 1.0045657** 8.71D-03 <2ph|9p3>=-1.6D-03 9p3 0.6294256 0.3054987 1.0027323** 2.50D-02 9f1 0.6592992 0.0140233 1.0008457** 3.72D-03 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 7.9D-07 < 2s|9s2>=-8.5D-06 <3sh|9s2>=-1.7D-06 < 1s|9s2>=-6.3D-06 1 -0.013799 2 0.171840 3 -0.286389 4 -0.028268 5 -0.023908 6 -0.052936 7 0.038977 8 -0.044583 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.03D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-4.44912E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.58597E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.31626E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.79363E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.21879E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.66906E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.95072E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.07512E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0628257 0.1489393 1.0050413 c 6.43D-02 ED = -20.901640; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00796413318.6421650** 3.49D-01 < 2s|9s1>= 3.9D-01 < 1s|9s1>= 9.2D-01 9s1 0.5124816 2.0200334 9.4791873** 6.09D-01 9d1 0.5141374 -0.0715226 0.9964065** 9.23D-03 <2ph|9p2>=-1.2D-01 9p2 0.6923951 -0.0060899 1.0127754** 7.80D-02 < 2s|9s2>= 3.8D-01 <3sh|9s2>=-1.1D-02 < 1s|9s2>= 9.1D-01 9s2 0.8028350 1.7410642 6.3484097** 9.36D-01 <3dh|9d2>=-2.3D-02 9d2 0.6942675 -0.1440738 0.9956982** 1.11D-02 <2ph|9p3>=-2.1D-02 9p3 0.6829729 0.3111608 1.0041966** 4.26D-02 9f1 0.6242096 0.0142148 0.9988426** 6.21D-03 < 2s|9s1>=-2.0D-07 < 1s|9s1>=-1.5D-07 < 2s|9s2>=-2.5D-06 <3sh|9s2>=-5.1D-07 < 1s|9s2>=-1.9D-06 1 0.010211 2 0.149126 3 -0.287608 4 -0.030431 5 -0.026714 6 -0.055051 7 0.041734 8 -0.043810 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.05D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-4.24973E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.48319E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.16595E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.55565E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.02053E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.51019E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.05174E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.92069E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0533726 0.1476955 0.9916494 c 1.77D-01 ED = -28.278678; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00833804482.7494566** 3.49D-01 < 2s|9s1>=-4.0D-01 < 1s|9s1>=-8.0D-01 9s1 0.5048237 -1.5666284 2.7791536** 6.80D-01 9d1 0.5011090 -0.0695715 1.0048652** 1.08D-02 <2ph|9p2>= 1.5D-01 9p2 0.5968077 0.0718519 1.0134633** 9.37D-02 < 2s|9s2>= 3.7D-01 <3sh|9s2>= 6.9D-02 < 1s|9s2>= 3.6D-01 9s2 0.4863895 0.3479634 1.3497106** 5.41D-01 <3dh|9d2>= 2.4D-02 9d2 0.5997932 -0.1399906 1.0086419** 1.50D-02 <2ph|9p3>=-1.6D-04 9p3 0.6120372 0.2950980 1.0081085** 4.14D-02 9f1 0.6645959 0.0139807 1.0013237** 6.01D-03 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.2D-07 < 2s|9s2>=-4.2D-06 <3sh|9s2>=-8.6D-07 < 1s|9s2>=-3.1D-06 1 -0.013993 2 0.169761 3 -0.285926 4 -0.028063 5 -0.023614 6 -0.052703 7 0.038865 8 -0.044622 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.77D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-4.49956E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.63768E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.32175E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80174E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.24131E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.68102E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.95467E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.08308E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0629015 0.1490968 1.0094879 c 1.51D-01 ED = -20.644415; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00795123272.3372359** 3.49D-01 < 2s|9s1>=-3.9D-01 < 1s|9s1>=-9.2D-01 9s1 0.5161182 -1.9482325 40.3988865** 9.15D-01 9d1 0.5214657 -0.0703057 1.0004309** 2.79D-03 <2ph|9p2>=-3.8D-01 9p2 0.6358648 0.0161470 1.0666727** 1.73D-01 < 2s|9s2>=-3.0D-01 <3sh|9s2>= 3.7D-02 < 1s|9s2>=-4.6D-01 9s2 0.5083694 -1.7607679 1.2138925** 3.93D-01 <3dh|9d2>=-2.8D-02 9d2 0.6455732 -0.1460358 0.9983197** 1.15D-02 <2ph|9p3>= 5.7D-02 9p3 0.6722924 0.3027955 1.0034609** 6.28D-02 9f1 0.6873731 0.0138561 1.0002108** 4.17D-03 < 2s|9s1>= 3.3D-06 < 1s|9s1>= 2.4D-06 < 2s|9s2>=-4.2D-07 <3sh|9s2>=-8.4D-08 < 1s|9s2>=-3.1D-07 1 0.014286 2 0.102187 3 -0.291983 4 -0.029228 5 -0.023386 6 -0.054708 7 0.043030 8 -0.045314 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.55D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-7.64072E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-9.44632E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.02835E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.71012E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.70544E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.72462E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.32597E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 1.89978E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0501726 0.1485552 0.9963672 c 2.54D-01 ED = -20.103300; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00798093178.2642377** 3.49D-01 < 2s|9s1>=-2.7D-01 < 1s|9s1>=-6.6D-01 9s1 0.5020908 -1.0097174 2.5199903** 8.11D-01 9d1 0.5034066 -0.0702957 0.9974101** 8.07D-03 <2ph|9p2>= 2.3D-01 9p2 0.6503846 0.0730801 1.0568962** 1.43D-01 < 2s|9s2>= 2.0D-01 <3sh|9s2>=-1.3D-02 < 1s|9s2>= 4.1D-01 9s2 0.7147947 -0.0023804 1.1587994** 3.39D-01 <3dh|9d2>= 1.3D-02 9d2 0.6531105 -0.1406422 1.0015688** 9.75D-03 <2ph|9p3>=-2.9D-02 9p3 0.6329164 0.2786598 1.0156123** 6.04D-02 9f1 0.6248658 0.0139361 0.9994473** 1.01D-02 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 7.9D-07 < 2s|9s2>= 4.8D-04 <3sh|9s2>= 9.8D-05 < 1s|9s2>= 3.6D-04 1 -0.013629 2 0.172742 3 -0.286390 4 -0.028407 5 -0.023955 6 -0.053221 7 0.038958 8 -0.044599 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.54D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-4.42850E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.57359E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.30912E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80978E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.21987E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.67255E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.91489E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.07960E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0624839 0.1487545 1.0013418 c 1.97D-01 ED = -21.257481; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00798103360.4132521** 3.49D-01 < 2s|9s1>= 3.6D-01 < 1s|9s1>= 8.5D-01 9s1 0.5115501 2.0470912 2.5305629** 5.81D-01 9d1 0.5108947 -0.0710421 0.9998897** 1.33D-03 <2ph|9p2>=-1.3D-02 9p2 0.6638158 0.0394906 0.9974940** 1.23D-02 < 2s|9s2>=-2.4D-01 <3sh|9s2>=-1.8D-02 < 1s|9s2>=-3.6D-01 9s2 0.6982805 -1.9095149 1.0811494** 3.13D-01 <3dh|9d2>=-7.8D-03 9d2 0.6636937 -0.1446496 0.9949641** 7.31D-03 <2ph|9p3>=-2.4D-02 9p3 0.6608804 0.3099291 0.9974528** 2.45D-02 9f1 0.6389970 0.0140866 1.0006434** 8.96D-03 < 2s|9s1>= 3.3D-07 < 1s|9s1>= 2.5D-07 < 2s|9s2>=-4.8D-07 <3sh|9s2>=-9.7D-08 < 1s|9s2>=-3.6D-07 1 0.012767 2 0.174407 3 -0.286768 4 -0.028834 5 -0.025186 6 -0.053558 7 0.039390 8 -0.044301 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.97D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-4.20399E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.53051E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.30546E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.70879E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.04210E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.59566E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.93381E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.04735E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0613639 0.1484459 0.9979249 c 1.83D-02 ED = -22.578259; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00806763588.5335573** 3.49D-01 < 2s|9s1>=-2.5D-01 < 1s|9s1>=-5.2D-01 9s1 0.5075244 -0.6980870 1.2476051** 4.34D-01 9d1 0.5071232 -0.0705531 1.0011732** 2.83D-03 <2ph|9p2>= 2.7D-02 9p2 0.6337709 0.0553521 1.0000838** 2.07D-02 < 2s|9s2>= 1.5D-01 <3sh|9s2>= 2.2D-02 < 1s|9s2>= 2.4D-01 9s2 0.6058462 -0.3615584 1.0639622** 2.40D-01 <3dh|9d2>= 3.5D-03 9d2 0.6352987 -0.1437230 1.0019282** 3.74D-03 <2ph|9p3>=-6.2D-03 9p3 0.6423254 0.3099185 1.0006704** 1.28D-02 9f1 0.6517694 0.0140419 1.0003660** 1.68D-03 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.1D-07 < 2s|9s2>= 2.0D-06 <3sh|9s2>= 4.0D-07 < 1s|9s2>= 1.5D-06 1 -0.013592 2 0.173369 3 -0.286661 4 -0.028416 5 -0.024201 6 -0.053113 7 0.039055 8 -0.044540 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 7.57D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-4.39565E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.54873E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.31411E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.78052E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.18332E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.65450E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.94441E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.06988E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0626143 0.1487766 1.0022280 c 2.00D-02 ED = -21.200432; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00798153369.6550201** 3.49D-01 < 2s|9s1>= 3.6D-01 < 1s|9s1>= 8.5D-01 9s1 0.5101917 2.0437697 2.4573165** 5.79D-01 9d1 0.5104325 -0.0710180 0.9988706** 2.77D-03 <2ph|9p2>=-4.9D-03 9p2 0.6576988 0.0412073 1.0013609** 1.18D-02 < 2s|9s2>=-2.3D-01 <3sh|9s2>=-1.1D-02 < 1s|9s2>=-3.7D-01 9s2 0.6862269 -1.9123523 1.0849106** 3.22D-01 <3dh|9d2>=-5.7D-03 9d2 0.6600924 -0.1445460 0.9983894** 3.55D-03 <2ph|9p3>=-1.1D-02 9p3 0.6571642 0.3120900 1.0004442** 1.36D-02 9f1 0.6405892 0.0140931 0.9996727** 1.57D-03 < 2s|9s1>= 3.3D-07 < 1s|9s1>= 2.5D-07 < 2s|9s2>=-4.8D-07 <3sh|9s2>=-9.7D-08 < 1s|9s2>=-3.6D-07 1 0.012785 2 0.174417 3 -0.286653 4 -0.028814 5 -0.025148 6 -0.053527 7 0.039367 8 -0.044300 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.00D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-4.20786E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.52764E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.30571E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.71112E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.04437E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.59753E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.93357E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.04773E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0614902 0.1484944 0.9981033 c 1.83D-02 ED = -22.543970; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00806473583.3555304** 3.49D-01 < 2s|9s1>=-1.6D-01 < 1s|9s1>=-3.0D-01 9s1 0.5078385 -0.1673426 1.0771694** 2.51D-01 9d1 0.5076142 -0.0706002 1.0010586** 2.50D-03 <2ph|9p2>= 2.4D-02 9p2 0.6357359 0.0538516 0.9997741** 1.79D-02 < 2s|9s2>= 1.3D-01 <3sh|9s2>= 1.9D-02 < 1s|9s2>= 2.1D-01 9s2 0.6117117 -0.4511988 1.0502729** 2.09D-01 <3dh|9d2>= 2.7D-03 9d2 0.6374611 -0.1437893 1.0015234** 3.08D-03 <2ph|9p3>=-5.8D-03 9p3 0.6435559 0.3103364 1.0004571** 1.13D-02 9f1 0.6513255 0.0140500 1.0003025** 1.41D-03 < 2s|9s1>= 2.9D-06 < 1s|9s1>= 2.1D-06 < 2s|9s2>= 1.4D-06 <3sh|9s2>= 2.8D-07 < 1s|9s2>= 1.0D-06 1 -0.013513 2 0.173760 3 -0.286627 4 -0.028447 5 -0.024292 6 -0.053143 7 0.039067 8 -0.044512 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 4.37D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-4.36925E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.53706E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.31487E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77399E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.16811E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.64872E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.94184E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.06856E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0625779 0.1487628 1.0018076 c 1.74D-02 ED = -21.324162; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00798943389.3781301** 3.49D-01 < 2s|9s1>= 3.5D-01 < 1s|9s1>= 8.3D-01 9s1 0.5099897 2.0279644 2.2140402** 5.71D-01 9d1 0.5102325 -0.0709837 0.9990762** 2.26D-03 <2ph|9p2>=-2.7D-03 9p2 0.6555867 0.0424927 1.0010341** 9.05D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>=-8.7D-03 < 1s|9s2>=-3.0D-01 9s2 0.6784116 -1.7675841 1.0472069** 2.65D-01 <3dh|9d2>=-4.9D-03 9d2 0.6579385 -0.1445047 0.9986459** 2.95D-03 <2ph|9p3>=-1.0D-02 9p3 0.6559475 0.3121402 1.0002968** 1.14D-02 9f1 0.6417944 0.0140897 0.9997435** 1.24D-03 < 2s|9s1>= 3.5D-07 < 1s|9s1>= 2.6D-07 < 2s|9s2>=-4.3D-07 <3sh|9s2>=-8.7D-08 < 1s|9s2>=-3.2D-07 1 0.012866 2 0.174576 3 -0.286641 4 -0.028770 5 -0.025053 6 -0.053480 7 0.039321 8 -0.044322 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.91D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-4.22105E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.52147E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.30766E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.71852E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.05718E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.60312E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.93338E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05060E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0616609 0.1485289 0.9984273 c 1.49D-02 ED = -22.400564; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00805603560.7472101** 3.49D-01 < 2s|9s1>=-1.0D-01 < 1s|9s1>=-1.6D-01 9s1 0.5080374 0.1592543 1.0259644** 1.40D-01 9d1 0.5078928 -0.0706403 1.0008681** 2.06D-03 <2ph|9p2>= 2.1D-02 9p2 0.6376059 0.0529523 0.9997714** 1.52D-02 < 2s|9s2>= 1.1D-01 <3sh|9s2>= 1.7D-02 < 1s|9s2>= 1.9D-01 9s2 0.6175993 -0.5441764 1.0378136** 1.77D-01 <3dh|9d2>= 1.9D-03 9d2 0.6393863 -0.1438889 1.0012426** 2.52D-03 <2ph|9p3>=-6.1D-03 9p3 0.6447922 0.3106448 1.0003590** 9.92D-03 9f1 0.6505089 0.0140536 1.0002491** 1.16D-03 < 2s|9s1>=-1.7D-06 < 1s|9s1>=-1.2D-06 < 2s|9s2>= 9.6D-07 <3sh|9s2>= 1.9D-07 < 1s|9s2>= 7.2D-07 1 -0.013469 2 0.173950 3 -0.286632 4 -0.028470 5 -0.024346 6 -0.053167 7 0.039079 8 -0.044499 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.45D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-4.35698E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.53207E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.31474E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77051E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.16001E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.64555E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.94063E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.06757E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0625408 0.1487467 1.0014664 c 1.41D-02 ED = -21.393441; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00799373400.5699116** 3.49D-01 < 2s|9s1>= 3.4D-01 < 1s|9s1>= 8.0D-01 9s1 0.5098054 1.9992355 1.9585133** 5.56D-01 9d1 0.5100126 -0.0709522 0.9992476** 1.83D-03 <2ph|9p2>=-2.8D-04 9p2 0.6537962 0.0438553 1.0008330** 6.64D-03 < 2s|9s2>=-1.6D-01 <3sh|9s2>=-6.5D-03 < 1s|9s2>=-2.3D-01 9s2 0.6721769 -1.6284260 1.0236884** 2.12D-01 <3dh|9d2>=-4.3D-03 9d2 0.6560858 -0.1444752 0.9988917** 2.41D-03 <2ph|9p3>=-9.8D-03 9p3 0.6548637 0.3120679 1.0002317** 9.77D-03 9f1 0.6426890 0.0140852 0.9997922** 1.00D-03 < 2s|9s1>= 3.6D-07 < 1s|9s1>= 2.6D-07 < 2s|9s2>=-3.8D-07 <3sh|9s2>=-7.7D-08 < 1s|9s2>=-2.8D-07 1 0.012951 2 0.174696 3 -0.286643 4 -0.028728 5 -0.024957 6 -0.053438 7 0.039279 8 -0.044347 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.67D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-4.23665E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.51687E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.30924E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.72625E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.07069E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.60896E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.93332E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05339E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0618180 0.1485576 0.9987287 c 1.17D-02 ED = -22.253067; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00804693537.4610457** 3.49D-01 < 2s|9s1>=-5.0D-02 < 1s|9s1>=-4.5D-02 9s1 0.5082018 0.4278822 1.0052104** 5.56D-02 9d1 0.5081226 -0.0706761 1.0006968** 1.66D-03 <2ph|9p2>= 1.8D-02 9p2 0.6393446 0.0521955 0.9997989** 1.28D-02 < 2s|9s2>= 8.8D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>= 1.6D-01 9s2 0.6232298 -0.6267655 1.0280580** 1.48D-01 <3dh|9d2>= 1.2D-03 9d2 0.6411517 -0.1439826 1.0009872** 2.00D-03 <2ph|9p3>=-6.5D-03 9p3 0.6459367 0.3108816 1.0002759** 8.60D-03 9f1 0.6496873 0.0140562 1.0002002** 9.34D-04 < 2s|9s1>=-2.2D-07 < 1s|9s1>=-1.6D-07 < 2s|9s2>= 7.0D-07 <3sh|9s2>= 1.4D-07 < 1s|9s2>= 5.2D-07 1 -0.013433 2 0.174100 3 -0.286644 4 -0.028490 5 -0.024391 6 -0.053190 7 0.039091 8 -0.044489 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.17D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-4.34761E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.52836E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.31446E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.76776E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.15359E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.64299E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.93968E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.06670E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0625027 0.1487306 1.0011644 c 1.10D-02 ED = -21.450130; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00799723409.7438086** 3.49D-01 < 2s|9s1>= 3.2D-01 < 1s|9s1>= 7.6D-01 9s1 0.5096074 1.9530756 1.7298995** 5.35D-01 9d1 0.5098024 -0.0709231 0.9994028** 1.45D-03 <2ph|9p2>= 1.9D-03 9p2 0.6521872 0.0451010 1.0006724** 5.04D-03 < 2s|9s2>=-1.2D-01 <3sh|9s2>=-4.4D-03 < 1s|9s2>=-1.7D-01 9s2 0.6666619 -1.4981159 1.0094778** 1.64D-01 <3dh|9d2>=-3.6D-03 9d2 0.6544145 -0.1444479 0.9991178** 1.92D-03 <2ph|9p3>=-9.5D-03 9p3 0.6538848 0.3119751 1.0001908** 8.30D-03 9f1 0.6434636 0.0140809 0.9998353** 7.92D-04 < 2s|9s1>= 3.6D-07 < 1s|9s1>= 2.7D-07 < 2s|9s2>=-3.2D-07 <3sh|9s2>=-6.5D-08 < 1s|9s2>=-2.4D-07 1 0.013028 2 0.174755 3 -0.286650 4 -0.028691 5 -0.024870 6 -0.053401 7 0.039243 8 -0.044370 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.31D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-4.25208E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.51431E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.31042E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.73324E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.08327E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.61431E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.93352E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05580E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0619496 0.1485823 0.9990032 c 8.93D-03 ED = -22.120279; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00803873516.4771714** 3.49D-01 < 2s|9s1>=-9.1D-05 < 1s|9s1>= 6.3D-02 9s1 0.5083476 0.6661215 1.0019152** 5.58D-02 9d1 0.5083204 -0.0707077 1.0005421** 1.29D-03 <2ph|9p2>= 1.6D-02 9p2 0.6409124 0.0515278 0.9998497** 1.07D-02 < 2s|9s2>= 6.9D-02 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 1.3D-01 9s2 0.6284021 -0.7050002 1.0200011** 1.21D-01 <3dh|9d2>= 6.3D-04 9d2 0.6427427 -0.1440637 1.0007604** 1.54D-03 <2ph|9p3>=-6.9D-03 9p3 0.6469529 0.3110628 1.0002167** 7.41D-03 9f1 0.6489220 0.0140584 1.0001555** 7.30D-04 < 2s|9s1>= 7.7D-08 < 1s|9s1>= 5.7D-08 < 2s|9s2>= 5.0D-07 <3sh|9s2>= 1.0D-07 < 1s|9s2>= 3.7D-07 1 -0.013401 2 0.174222 3 -0.286655 4 -0.028508 5 -0.024432 6 -0.053210 7 0.039102 8 -0.044480 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 9.74D-03 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-4.33942E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.52543E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.31415E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.76525E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.14782E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.64069E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.93886E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.06588E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0624654 0.1487155 1.0008965 c 8.26D-03 ED = -21.501845; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.00800033418.0938674** 3.49D-01 < 2s|9s1>= 3.0D-01 < 1s|9s1>= 7.2D-01 9s1 0.5094357 1.8904462 1.5495297** 5.08D-01 9d1 0.5096144 -0.0708975 0.9995393** 1.12D-03 <2ph|9p2>= 3.8D-03 9p2 0.6508011 0.0461287 1.0005449** 4.76D-03 < 2s|9s2>=-9.6D-02 <3sh|9s2>=-2.5D-03 < 1s|9s2>=-1.2D-01 9s2 0.6619416 -1.3836926 1.0017473** 1.22D-01 <3dh|9d2>=-3.1D-03 9d2 0.6529682 -0.1444205 0.9993176** 1.50D-03 <2ph|9p3>=-9.2D-03 9p3 0.6530431 0.3118809 1.0001655** 7.05D-03 9f1 0.6441186 0.0140773 0.9998727** 6.13D-04 < 2s|9s1>= 3.7D-07 < 1s|9s1>= 2.7D-07 < 2s|9s2>=-2.6D-07 <3sh|9s2>=-5.2D-08 < 1s|9s2>=-1.9D-07 1 0.013091 2 0.174765 3 -0.286657 4 -0.028662 5 -0.024798 6 -0.053371 7 0.039217 8 -0.044389 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 8.85D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-4.26556E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.51340E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.31124E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.73893E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.09382E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.61874E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.93389E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.05767E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0620504 0.1486023 0.9992389 c 6.69D-03 ED = -22.012512; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.00803203499.4290590** 3.49D-01 < 2s|9s1>= 4.3D-02 < 1s|9s1>= 1.6D-01 9s1 0.5084726 0.8683533 1.0111547** 1.24D-01 9d1 0.5084845 -0.0707338 1.0004109** 9.83D-04 <2ph|9p2>= 1.4D-02 9p2 0.6422302 0.0509573 0.9999095** 8.92D-03 < 2s|9s2>= 5.1D-02 <3sh|9s2>= 1.0D-02 < 1s|9s2>= 1.1D-01 9s2 0.6328074 -0.7753493 1.0137563** 9.63D-02 <3dh|9d2>= 1.3D-04 9d2 0.6440842 -0.1441279 1.0005703** 1.15D-03 <2ph|9p3>=-7.3D-03 9p3 0.6477934 0.3111968 1.0001791** 6.39D-03 9f1 0.6482701 0.0140603 1.0001175** 5.54D-04 < 2s|9s1>= 2.0D-07 < 1s|9s1>= 1.5D-07 < 2s|9s2>= 3.6D-07 <3sh|9s2>= 7.3D-08 < 1s|9s2>= 2.7D-07 1 -0.013372 2 0.174320 3 -0.286663 4 -0.028524 5 -0.024468 6 -0.053228 7 0.039113 8 -0.044472 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.17D-02 *** CALCULATIONS FOR k^2 = 0.2200 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.012520 2 0.169652 3 -0.281289 4 -0.028012 5 -0.024172 6 -0.052808 7 0.038566 8 -0.044115 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-4.39135E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.68029E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.37945E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.77101E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.27722E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.66021E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.03459E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.10793E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 99points in CSOLVE. End of range: 33.115451958692 au. kpc 0.0564283 0.1399274 0.9416234 c 9.96D-02 ED = -18.886929; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01408072158.9812049** 3.48D-01 < 2s|9s1>= 4.1D-01 < 1s|9s1>= 9.1D-01 9s1 0.5008491 2.0356052 8.1517481** 6.05D-01 9d1 0.5447835 -0.0676307 1.0116524** 3.09D-02 <2ph|9p2>=-1.4D-01 9p2 0.6181713 -0.0049084 1.0164074** 6.14D-02 < 2s|9s2>= 4.1D-01 <3sh|9s2>=-1.3D-03 < 1s|9s2>= 9.1D-01 9s2 0.7630129 1.9598741 37.0059734** 1.00D+00 <3dh|9d2>=-1.2D-03 9d2 0.6552538 -0.1392149 1.0014965** 2.60D-02 <2ph|9p3>= 2.6D-01 9p3 0.6460028 0.3600926 1.0434470** 1.11D-01 9f1 0.7146711 0.0133709 1.0163056** 5.54D-02 < 2s|9s1>=-1.8D-07 < 1s|9s1>=-1.4D-07 < 2s|9s2>=-3.6D-06 <3sh|9s2>=-7.3D-07 < 1s|9s2>=-2.7D-06 1 0.015989 2 0.144470 3 -0.290323 4 -0.026749 5 -0.022214 6 -0.052133 7 0.038694 8 -0.046330 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.03D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-3.83465E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.85685E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.64220E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.70561E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-6.65250E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.73102E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.22224E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.31128E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0368242 0.1365959 0.9761910 c 5.32D-01 ED = -24.978644; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01497511653.6936205** 3.47D-01 < 2s|9s1>= 3.6D-01 < 1s|9s1>= 9.2D-01 9s1 0.5205412 2.0086529 7.1372396** 7.13D-01 9d1 0.5184970 -0.0655716 1.0035499** 7.51D-03 <2ph|9p2>= 1.7D-01 9p2 0.6286579 0.0731196 1.0161206** 8.70D-02 < 2s|9s2>= 4.2D-01 <3sh|9s2>= 2.9D-02 < 1s|9s2>= 6.7D-01 9s2 0.5738983 1.0742356 2.1870700** 8.72D-01 <3dh|9d2>= 2.0D-02 9d2 0.6307266 -0.1374236 1.0042166** 7.44D-03 <2ph|9p3>=-2.0D-02 9p3 0.6433433 0.3056856 1.0025313** 2.59D-02 9f1 0.6646812 0.0128392 1.0024435** 6.95D-03 < 2s|9s1>= 1.1D-07 < 1s|9s1>= 7.9D-08 < 2s|9s2>=-2.4D-06 <3sh|9s2>=-4.8D-07 < 1s|9s2>=-1.8D-06 1 -0.017957 2 0.157633 3 -0.288170 4 -0.025173 5 -0.024662 6 -0.050489 7 0.036922 8 -0.046565 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.32D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-3.67279E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.22310E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.82835E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.51238E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.65639E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.52372E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.15037E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.43275E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0388293 0.1366623 1.0004864 c 5.16D-02 ED = -22.738822; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01477301475.2622471** 3.46D-01 < 2s|9s1>=-3.8D-01 < 1s|9s1>=-8.3D-01 9s1 0.5289214 -1.6073110 2.6641887** 7.01D-01 9d1 0.5295907 -0.0658784 1.0007170** 2.30D-03 <2ph|9p2>= 7.7D-02 9p2 0.6398841 0.0917064 0.9997470** 5.80D-02 < 2s|9s2>=-1.3D-02 <3sh|9s2>= 4.5D-02 < 1s|9s2>=-1.8D-01 9s2 0.5724898 -1.1960810 1.0451793** 1.44D-01 <3dh|9d2>= 7.4D-03 9d2 0.6487344 -0.1410563 0.9986391** 6.47D-03 <2ph|9p3>= 1.1D-02 9p3 0.6569965 0.3180845 0.9993715** 2.52D-02 9f1 0.6816192 0.0127616 1.0006716** 4.26D-03 < 2s|9s1>= 1.0D-06 < 1s|9s1>= 7.7D-07 < 2s|9s2>=-2.0D-07 <3sh|9s2>=-4.0D-08 < 1s|9s2>=-1.5D-07 1 0.021362 2 0.161636 3 -0.288942 4 -0.024324 5 -0.022719 6 -0.049490 7 0.036020 8 -0.047348 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.10D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-4.14014E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.07433E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87997E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.68617E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.90327E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.65492E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.15006E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.51516E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0411662 0.1372619 1.0043876 c 5.68D-02 ED = -19.024089; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01437701240.7968373** 3.47D-01 < 2s|9s1>=-3.5D-01 < 1s|9s1>=-8.4D-01 9s1 0.5308445 -1.5687736 2.5426779** 7.82D-01 9d1 0.5315714 -0.0664282 0.9991386** 2.11D-03 <2ph|9p2>= 1.7D-03 9p2 0.6710458 0.0799775 0.9994246** 4.10D-03 < 2s|9s2>=-3.6D-01 <3sh|9s2>= 6.1D-04 < 1s|9s2>=-7.0D-01 9s2 0.6752121 -2.2299461 1.5659341** 5.21D-01 <3dh|9d2>=-7.3D-03 9d2 0.6801421 -0.1433465 0.9978147** 4.33D-03 <2ph|9p3>=-8.1D-03 9p3 0.6773696 0.3206471 0.9994620** 6.01D-03 9f1 0.6645941 0.0127682 1.0000005** 4.14D-04 < 2s|9s1>= 1.0D-06 < 1s|9s1>= 7.5D-07 < 2s|9s2>=-5.4D-07 <3sh|9s2>=-1.1D-07 < 1s|9s2>=-4.0D-07 1 -0.021260 2 0.163045 3 -0.289890 4 -0.024538 5 -0.023000 6 -0.049827 7 0.036178 8 -0.047409 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.26D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-4.14584E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.05232E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.86605E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.68457E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.89132E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.64742E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.14351E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50821E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409836 0.1370083 0.9981521 c 4.46D-03 ED = -19.061694; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01438801246.0599954** 3.47D-01 < 2s|9s1>=-1.2D-01 < 1s|9s1>=-2.5D-01 9s1 0.5261525 -0.0372437 1.0641169** 2.39D-01 9d1 0.5268069 -0.0662998 0.9999595** 3.03D-04 <2ph|9p2>= 3.4D-02 9p2 0.6665450 0.0786687 1.0028210** 1.83D-02 < 2s|9s2>=-2.9D-02 <3sh|9s2>= 8.9D-04 < 1s|9s2>=-2.6D-02 9s2 0.6799464 -1.0819521 0.9948136** 5.42D-02 <3dh|9d2>=-3.6D-03 9d2 0.6718878 -0.1425354 1.0002773** 1.92D-03 <2ph|9p3>=-2.9D-02 9p3 0.6734553 0.3171416 1.0010463** 1.60D-02 9f1 0.6574984 0.0127709 0.9999982** 7.39D-04 < 2s|9s1>= 9.2D-06 < 1s|9s1>= 6.8D-06 < 2s|9s2>=-8.3D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.2D-08 1 0.020641 2 0.165375 3 -0.289662 4 -0.024664 5 -0.023351 6 -0.049974 7 0.036181 8 -0.047253 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 3.90D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-3.99036E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.96672E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87194E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.65996E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.83393E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62250E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.12629E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50355E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409315 0.1368106 0.9985571 c 1.27D-03 ED = -19.652148; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01444681284.6925312** 3.47D-01 < 2s|9s1>=-9.4D-02 < 1s|9s1>=-1.6D-01 9s1 0.5258541 0.1528868 1.0247242** 1.45D-01 9d1 0.5264329 -0.0662044 1.0001887** 4.35D-04 <2ph|9p2>= 3.9D-02 9p2 0.6608266 0.0799018 1.0011738** 1.79D-02 < 2s|9s2>= 6.0D-02 <3sh|9s2>= 9.1D-03 < 1s|9s2>= 1.3D-01 9s2 0.6601305 -0.6941062 1.0152932** 1.08D-01 <3dh|9d2>=-1.3D-03 9d2 0.6655899 -0.1422227 1.0002361** 6.95D-04 <2ph|9p3>=-2.5D-02 9p3 0.6704581 0.3183500 1.0004842** 1.15D-02 9f1 0.6608199 0.0127698 1.0000535** 3.12D-04 < 2s|9s1>=-1.5D-06 < 1s|9s1>=-1.1D-06 < 2s|9s2>= 4.5D-07 <3sh|9s2>= 9.1D-08 < 1s|9s2>= 3.3D-07 1 -0.020598 2 0.165281 3 -0.289508 4 -0.024629 5 -0.023318 6 -0.049919 7 0.036150 8 -0.047234 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.39D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-3.97888E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.96492E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87575E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.65810E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.83498E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62249E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.12781E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50486E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409256 0.1368143 1.0000268 c 1.44D-04 ED = -19.684599; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01444961287.4657309** 3.47D-01 < 2s|9s1>=-2.3D-01 < 1s|9s1>=-4.8D-01 9s1 0.5265462 -0.6082968 1.1972737** 4.18D-01 9d1 0.5271633 -0.0662073 1.0000498** 1.60D-04 <2ph|9p2>= 3.5D-02 9p2 0.6606331 0.0809134 1.0007002** 1.59D-02 < 2s|9s2>=-1.2D-02 <3sh|9s2>= 1.1D-02 < 1s|9s2>=-2.1D-02 9s2 0.6563783 -1.0327505 1.0007086** 1.74D-02 <3dh|9d2>=-1.5D-03 9d2 0.6660831 -0.1423378 0.9999794** 5.47D-04 <2ph|9p3>=-2.1D-02 9p3 0.6705803 0.3189984 1.0004186** 1.01D-02 9f1 0.6624716 0.0127664 1.0000189** 1.73D-04 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 8.7D-07 < 2s|9s2>=-4.6D-08 <3sh|9s2>=-9.4D-09 < 1s|9s2>=-3.4D-08 1 0.020751 2 0.164891 3 -0.289538 4 -0.024590 5 -0.023226 6 -0.049872 7 0.036133 8 -0.047271 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.91D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-4.01162E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97840E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87579E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66476E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84793E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62861E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13092E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50702E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409531 0.1368524 1.0002788 c 6.70D-04 ED = -19.536068; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01443401277.7406004** 3.47D-01 < 2s|9s1>=-2.4D-01 < 1s|9s1>=-5.2D-01 9s1 0.5267016 -0.7088313 1.2445977** 4.59D-01 9d1 0.5273660 -0.0662321 0.9999607** 8.67D-05 <2ph|9p2>= 3.2D-02 9p2 0.6621072 0.0806340 1.0008994** 1.44D-02 < 2s|9s2>=-4.5D-02 <3sh|9s2>= 8.7D-03 < 1s|9s2>=-7.9D-02 9s2 0.6610879 -1.1685677 1.0005809** 6.72D-02 <3dh|9d2>=-2.2D-03 9d2 0.6677519 -0.1424398 0.9999013** 7.35D-04 <2ph|9p3>=-2.1D-02 9p3 0.6714538 0.3189073 1.0004737** 9.34D-03 9f1 0.6618554 0.0127661 0.9999932** 4.12D-05 < 2s|9s1>= 1.1D-06 < 1s|9s1>= 8.2D-07 < 2s|9s2>=-1.6D-07 <3sh|9s2>=-3.2D-08 < 1s|9s2>=-1.2D-07 1 -0.020776 2 0.164859 3 -0.289584 4 -0.024595 5 -0.023224 6 -0.049880 7 0.036140 8 -0.047280 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 7.57D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-4.01828E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.98084E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87485E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66588E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84928E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62928E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13106E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50694E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409483 0.1368510 0.9999899 c 1.17D-04 ED = -19.512865; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01443191276.1251503** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265461 -0.5745694 1.1880577** 4.12D-01 9d1 0.5271927 -0.0662326 0.9999853** 4.46D-05 <2ph|9p2>= 3.3D-02 9p2 0.6622796 0.0803919 1.0010716** 1.49D-02 < 2s|9s2>=-2.9D-02 <3sh|9s2>= 8.1D-03 < 1s|9s2>=-4.7D-02 9s2 0.6624759 -1.1013793 0.9988702** 4.25D-02 <3dh|9d2>=-2.2D-03 9d2 0.6677758 -0.1424193 0.9999725** 7.41D-04 <2ph|9p3>=-2.2D-02 9p3 0.6714904 0.3187170 1.0005197** 9.77D-03 9f1 0.6613679 0.0127666 0.9999957** 4.65D-05 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 8.9D-07 < 2s|9s2>=-1.1D-07 <3sh|9s2>=-2.1D-08 < 1s|9s2>=-7.9D-08 1 0.020743 2 0.164963 3 -0.289580 4 -0.024604 5 -0.023246 6 -0.049892 7 0.036143 8 -0.047273 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.80D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-4.01078E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97733E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87485E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66443E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84624E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62789E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13024E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50650E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409410 0.1368406 0.9999237 c 1.79D-04 ED = -19.545568; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01443531278.2397892** 3.47D-01 < 2s|9s1>=-2.1D-01 < 1s|9s1>=-4.5D-01 9s1 0.5264935 -0.5352010 1.1727038** 3.97D-01 9d1 0.5271304 -0.0662267 1.0000083** 1.70D-05 <2ph|9p2>= 3.4D-02 9p2 0.6619533 0.0804282 1.0010298** 1.52D-02 < 2s|9s2>=-2.0D-02 <3sh|9s2>= 8.6D-03 < 1s|9s2>=-3.0D-02 9s2 0.6614949 -1.0628431 0.9989868** 2.78D-02 <3dh|9d2>=-2.0D-03 9d2 0.6673875 -0.1423940 0.9999945** 6.61D-04 <2ph|9p3>=-2.2D-02 9p3 0.6712971 0.3187286 1.0005055** 9.86D-03 9f1 0.6614691 0.0127667 1.0000016** 1.05D-05 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.2D-07 < 2s|9s2>=-7.3D-08 <3sh|9s2>=-1.5D-08 < 1s|9s2>=-5.4D-08 1 -0.020733 2 0.164980 3 -0.289570 4 -0.024604 5 -0.023248 6 -0.049891 7 0.036142 8 -0.047270 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.55D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-4.00850E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97645E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87507E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66402E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84564E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62759E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13014E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50648E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409403 0.1368395 0.9999919 c 1.59D-05 ED = -19.554267; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01443621278.8295348** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265247 -0.5660057 1.1837735** 4.08D-01 9d1 0.5271645 -0.0662259 1.0000044** 1.25D-05 <2ph|9p2>= 3.4D-02 9p2 0.6618794 0.0804918 1.0009872** 1.51D-02 < 2s|9s2>=-2.3D-02 <3sh|9s2>= 8.7D-03 < 1s|9s2>=-3.6D-02 9s2 0.6610695 -1.0756843 0.9991404** 3.24D-02 <3dh|9d2>=-2.0D-03 9d2 0.6673433 -0.1423962 0.9999808** 6.53D-04 <2ph|9p3>=-2.2D-02 9p3 0.6712685 0.3187732 1.0004950** 9.78D-03 9f1 0.6615931 0.0127665 1.0000013** 1.12D-05 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.0D-07 < 2s|9s2>=-8.4D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.3D-08 1 0.020741 2 0.164957 3 -0.289569 4 -0.024601 5 -0.023243 6 -0.049888 7 0.036141 8 -0.047271 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.73D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-4.01006E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97718E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87510E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66433E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84630E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62790E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13033E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50659E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409419 0.1368418 1.0000166 c 3.80D-05 ED = -19.547243; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01443551278.3757827** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265407 -0.5783553 1.1886276** 4.12D-01 9d1 0.5271830 -0.0662272 0.9999985** 3.33D-06 <2ph|9p2>= 3.4D-02 9p2 0.6619513 0.0804888 1.0009923** 1.50D-02 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 8.6D-03 < 1s|9s2>=-4.1D-02 9s2 0.6612642 -1.0862976 0.9991293** 3.64D-02 <3dh|9d2>=-2.0D-03 9d2 0.6674330 -0.1424026 0.9999740** 6.70D-04 <2ph|9p3>=-2.2D-02 9p3 0.6713130 0.3187751 1.0004971** 9.74D-03 9f1 0.6615809 0.0127665 0.9999998** 1.76D-06 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 8.9D-07 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.020744 2 0.164951 3 -0.289572 4 -0.024601 5 -0.023242 6 -0.049888 7 0.036141 8 -0.047272 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.80D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-4.01076E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97747E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87505E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66446E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84651E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62800E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13037E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50661E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409421 0.1368422 1.0000033 c 5.06D-06 ED = -19.544467; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01443521278.1894130** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265348 -0.5723232 1.1863980** 4.10D-01 9d1 0.5271766 -0.0662275 0.9999988** 3.26D-06 <2ph|9p2>= 3.4D-02 9p2 0.6619761 0.0804734 1.0010032** 1.50D-02 < 2s|9s2>=-2.5D-02 <3sh|9s2>= 8.6D-03 < 1s|9s2>=-4.0D-02 9s2 0.6613855 -1.0843098 0.9990797** 3.58D-02 <3dh|9d2>=-2.1D-03 9d2 0.6674524 -0.1424026 0.9999767** 6.74D-04 <2ph|9p3>=-2.2D-02 9p3 0.6713243 0.3187645 1.0004999** 9.76D-03 9f1 0.6615498 0.0127665 0.9999997** 2.65D-06 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.0D-07 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.8D-08 1 0.020742 2 0.164955 3 -0.289572 4 -0.024602 5 -0.023243 6 -0.049889 7 0.036141 8 -0.047272 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.77D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-4.01045E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97732E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87504E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66440E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84637E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62794E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13033E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50658E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409417 0.1368417 0.9999963 c 9.08D-06 ED = -19.545875; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01443531278.2795119** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265304 -0.5687741 1.1850210** 4.09D-01 9d1 0.5271716 -0.0662272 1.0000002** 6.38D-07 <2ph|9p2>= 3.4D-02 9p2 0.6619614 0.0804726 1.0010030** 1.50D-02 < 2s|9s2>=-2.5D-02 <3sh|9s2>= 8.6D-03 < 1s|9s2>=-3.9D-02 9s2 0.6613509 -1.0815850 0.9990764** 3.47D-02 <3dh|9d2>=-2.0D-03 9d2 0.6674329 -0.1424011 0.9999786** 6.70D-04 <2ph|9p3>=-2.2D-02 9p3 0.6713148 0.3187630 1.0004997** 9.77D-03 9f1 0.6615496 0.0127665 1.0000000** 4.68D-07 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.0D-07 < 2s|9s2>=-8.9D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 -0.020741 2 0.164957 3 -0.289572 4 -0.024602 5 -0.023244 6 -0.049889 7 0.036141 8 -0.047272 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.75D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-4.01026E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97724E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87505E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66436E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84631E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62791E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13031E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50657E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409416 0.1368415 0.9999988 c 2.32D-06 ED = -19.546678; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01443541278.3328998** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265314 -0.5698791 1.1854181** 4.09D-01 9d1 0.5271726 -0.0662271 1.0000003** 8.17D-07 <2ph|9p2>= 3.4D-02 9p2 0.6619540 0.0804762 1.0010003** 1.50D-02 < 2s|9s2>=-2.5D-02 <3sh|9s2>= 8.6D-03 < 1s|9s2>=-3.9D-02 9s2 0.6613184 -1.0817995 0.9990876** 3.48D-02 <3dh|9d2>=-2.0D-03 9d2 0.6674264 -0.1424010 0.9999781** 6.69D-04 <2ph|9p3>=-2.2D-02 9p3 0.6713112 0.3187654 1.0004990** 9.76D-03 9f1 0.6615571 0.0127665 1.0000001** 5.96D-07 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.0D-07 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 0.020742 2 0.164956 3 -0.289571 4 -0.024602 5 -0.023244 6 -0.049889 7 0.036141 8 -0.047272 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.75D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-4.01031E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97727E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87506E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66437E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84634E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62792E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13032E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50658E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409417 0.1368416 1.0000008 c 1.90D-06 ED = -19.546419; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01443541278.3165094** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265326 -0.5708381 1.1857870** 4.10D-01 9d1 0.5271739 -0.0662272 1.0000000** 1.08D-07 <2ph|9p2>= 3.4D-02 9p2 0.6619568 0.0804767 1.0010001** 1.50D-02 < 2s|9s2>=-2.5D-02 <3sh|9s2>= 8.6D-03 < 1s|9s2>=-3.9D-02 9s2 0.6613236 -1.0824745 0.9990894** 3.50D-02 <3dh|9d2>=-2.0D-03 9d2 0.6674304 -0.1424013 0.9999776** 6.70D-04 <2ph|9p3>=-2.2D-02 9p3 0.6713131 0.3187660 1.0004989** 9.76D-03 9f1 0.6615578 0.0127665 1.0000000** 1.50D-07 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.0D-07 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 -0.020742 2 0.164956 3 -0.289572 4 -0.024602 5 -0.023243 6 -0.049888 7 0.036141 8 -0.047272 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.76D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-4.01036E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97729E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87505E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66438E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84635E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62793E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13033E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50658E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409417 0.1368417 1.0000004 c 7.22D-07 ED = -19.546201; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01443541278.3021067** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265324 -0.5706675 1.1857279** 4.10D-01 9d1 0.5271738 -0.0662272 0.9999999** 1.96D-07 <2ph|9p2>= 3.4D-02 9p2 0.6619589 0.0804759 1.0010007** 1.50D-02 < 2s|9s2>=-2.5D-02 <3sh|9s2>= 8.6D-03 < 1s|9s2>=-3.9D-02 9s2 0.6613318 -1.0824896 0.9990868** 3.51D-02 <3dh|9d2>=-2.0D-03 9d2 0.6674324 -0.1424014 0.9999777** 6.70D-04 <2ph|9p3>=-2.2D-02 9p3 0.6713141 0.3187655 1.0004991** 9.76D-03 9f1 0.6615561 0.0127665 1.0000000** 1.28D-07 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.0D-07 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 0.020742 2 0.164956 3 -0.289572 4 -0.024602 5 -0.023244 6 -0.049889 7 0.036141 8 -0.047272 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.76D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-4.01035E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97728E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87505E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66438E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84635E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62792E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13033E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50658E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409417 0.1368417 0.9999998 c 3.89D-07 ED = -19.546242; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01443541278.3046217** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265321 -0.5704211 1.1856338** 4.10D-01 9d1 0.5271735 -0.0662272 1.0000000** 1.89D-08 <2ph|9p2>= 3.4D-02 9p2 0.6619584 0.0804757 1.0010009** 1.50D-02 < 2s|9s2>=-2.5D-02 <3sh|9s2>= 8.6D-03 < 1s|9s2>=-3.9D-02 9s2 0.6613314 -1.0823295 0.9990862** 3.50D-02 <3dh|9d2>=-2.0D-03 9d2 0.6674316 -0.1424013 0.9999778** 6.70D-04 <2ph|9p3>=-2.2D-02 9p3 0.6713138 0.3187653 1.0004991** 9.76D-03 9f1 0.6615558 0.0127665 1.0000000** 4.84D-08 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.0D-07 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 -0.020742 2 0.164956 3 -0.289572 4 -0.024602 5 -0.023244 6 -0.049889 7 0.036141 8 -0.047272 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.76D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-4.01034E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97728E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87505E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66438E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84634E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62792E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13032E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50658E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409417 0.1368417 0.9999999 c 2.13D-07 ED = -19.546298; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01443541278.3083176** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265321 -0.5704379 1.1856387** 4.10D-01 9d1 0.5271735 -0.0662272 1.0000000** 4.52D-08 <2ph|9p2>= 3.4D-02 9p2 0.6619579 0.0804759 1.0010007** 1.50D-02 < 2s|9s2>=-2.5D-02 <3sh|9s2>= 8.6D-03 < 1s|9s2>=-3.9D-02 9s2 0.6613294 -1.0823103 0.9990867** 3.50D-02 <3dh|9d2>=-2.0D-03 9d2 0.6674311 -0.1424013 0.9999778** 6.70D-04 <2ph|9p3>=-2.2D-02 9p3 0.6713135 0.3187654 1.0004991** 9.76D-03 9f1 0.6615561 0.0127665 1.0000000** 2.64D-08 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.0D-07 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 0.020742 2 0.164956 3 -0.289572 4 -0.024602 5 -0.023244 6 -0.049889 7 0.036141 8 -0.047272 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.76D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-4.01034E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-5.97728E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.87505E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.66438E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.84635E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.62792E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.13032E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.50658E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0409417 0.1368417 1.0000000 c 7.18D-08 ED = -19.546294; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01443541278.3080766** 3.47D-01 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-4.7D-01 9s1 0.5265322 -0.5704986 1.1856617** 4.10D-01 9d1 0.5271735 -0.0662272 1.0000000** 8.88D-09 <2ph|9p2>= 3.4D-02 9p2 0.6619579 0.0804759 1.0010007** 1.50D-02 < 2s|9s2>=-2.5D-02 <3sh|9s2>= 8.6D-03 < 1s|9s2>=-3.9D-02 9s2 0.6613293 -1.0823468 0.9990869** 3.50D-02 <3dh|9d2>=-2.0D-03 9d2 0.6674312 -0.1424013 0.9999778** 6.70D-04 <2ph|9p3>=-2.2D-02 9p3 0.6713136 0.3187654 1.0004991** 9.76D-03 9f1 0.6615563 0.0127665 1.0000000** 1.41D-08 < 2s|9s1>= 1.2D-06 < 1s|9s1>= 9.0D-07 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 -0.020742 2 0.164956 3 -0.289572 4 -0.024602 5 -0.023244 6 -0.049889 7 0.036141 8 -0.047272 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 6.76D-02 *** CALCULATIONS FOR k^2 = 0.2000 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.019439 2 0.160577 3 -0.284068 4 -0.024180 5 -0.022964 6 -0.049511 7 0.035643 8 -0.046863 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-4.05788E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.14547E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-3.94722E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.67236E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.97375E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.64935E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.22769E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.55631E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 98points in CSOLVE. End of range: 35.251215114589 au. kpc 0.0366128 0.1274361 0.9312665 c 1.18D-01 ED = -22.585360; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01010732146.3549268** 3.38D-01 < 2s|9s1>= 4.0D-01 < 1s|9s1>= 9.1D-01 9s1 0.5047232 2.0307479 7.7781792** 6.08D-01 9d1 0.5557108 -0.0627746 1.0132297** 3.33D-02 <2ph|9p2>=-3.9D-02 9p2 0.6152325 0.0403825 1.0096595** 2.56D-02 < 2s|9s2>= 4.1D-01 <3sh|9s2>=-1.8D-03 < 1s|9s2>= 9.1D-01 9s2 0.7699666 1.9820713 99.8130390** 9.93D-01 <3dh|9d2>= 2.3D-02 9d2 0.6586137 -0.1359607 1.0039855** 2.79D-02 <2ph|9p3>= 2.8D-01 9p3 0.6384400 0.3739052 1.0511471** 1.17D-01 9f1 0.7248387 0.0120386 1.0174280** 5.64D-02 < 2s|9s1>=-1.7D-07 < 1s|9s1>=-1.3D-07 < 2s|9s2>=-4.2D-06 <3sh|9s2>=-8.6D-07 < 1s|9s2>=-3.2D-06 1 0.008292 2 0.136872 3 -0.290816 4 -0.022465 5 -0.018535 6 -0.048346 7 0.034668 8 -0.048960 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.18D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-3.35329E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-7.34763E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.27967E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81359E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-7.00063E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.88947E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.32052E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 2.87477E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0267429 0.1242541 0.9750309 c 3.69D-01 ED = -43.618875; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01058454961.5981192** 3.41D-01 < 2s|9s1>= 2.7D-01 < 1s|9s1>= 8.2D-01 9s1 0.5431577 1.8842288 2.2139035** 6.62D-01 9d1 0.5397505 -0.0609714 1.0033873** 8.08D-03 <2ph|9p2>= 2.4D-01 9p2 0.6363152 0.1294914 1.0295197** 1.32D-01 < 2s|9s2>= 4.4D-01 <3sh|9s2>= 5.0D-02 < 1s|9s2>= 5.3D-01 9s2 0.5089882 0.8387269 2.2089201** 8.34D-01 <3dh|9d2>= 3.0D-02 9d2 0.6389049 -0.1354586 1.0036001** 9.20D-03 <2ph|9p3>=-1.4D-02 9p3 0.6541767 0.3190577 1.0032206** 3.73D-02 9f1 0.6936812 0.0115588 1.0020713** 7.15D-03 < 2s|9s1>= 3.2D-07 < 1s|9s1>= 2.4D-07 < 2s|9s2>=-2.4D-06 <3sh|9s2>=-4.8D-07 < 1s|9s2>=-1.8D-06 1 -0.010761 2 0.153164 3 -0.288341 4 -0.020519 5 -0.022302 6 -0.046133 7 0.032600 8 -0.049463 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.69D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-3.43834E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49059E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.59180E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.51559E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.30160E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.53235E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.23330E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.06603E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0308764 0.1246255 1.0029888 c 1.34D-01 ED = -34.035485; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01033063834.5638234** 3.41D-01 < 2s|9s1>=-2.8D-01 < 1s|9s1>=-6.5D-01 9s1 0.5537621 -1.0617632 1.4451164** 5.47D-01 9d1 0.5540677 -0.0618207 0.9991721** 1.74D-03 <2ph|9p2>=-9.0D-03 9p2 0.6887122 0.1083453 0.9960644** 1.69D-02 < 2s|9s2>=-3.4D-01 <3sh|9s2>= 4.6D-03 < 1s|9s2>=-6.7D-01 9s2 0.6731142 -2.1687407 1.4687782** 5.01D-01 <3dh|9d2>=-3.4D-03 9d2 0.6943182 -0.1401208 0.9968179** 5.54D-03 <2ph|9p3>= 1.8D-02 9p3 0.6930665 0.3401044 0.9973303** 1.02D-02 9f1 0.6951993 0.0115697 1.0000994** 2.25D-03 < 2s|9s1>= 8.8D-07 < 1s|9s1>= 6.6D-07 < 2s|9s2>=-5.3D-07 <3sh|9s2>=-1.1D-07 < 1s|9s2>=-3.9D-07 1 0.011405 2 0.153000 3 -0.289502 4 -0.020508 5 -0.022100 6 -0.046132 7 0.032604 8 -0.049774 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.34D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-3.62836E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.52902E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.58321E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.55016E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.35128E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.55828E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24894E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07800E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0308779 0.1245449 0.9993533 c 4.85D-05 ED = -31.966528; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01027573615.1486829** 3.41D-01 < 2s|9s1>=-9.5D-02 < 1s|9s1>=-2.3D-01 9s1 0.5500634 -0.0000711 1.0403853** 1.95D-01 9d1 0.5501468 -0.0617833 0.9998905** 3.99D-04 <2ph|9p2>=-9.0D-04 9p2 0.6899157 0.1050778 1.0012908** 5.08D-03 < 2s|9s2>=-1.5D-01 <3sh|9s2>=-9.5D-04 < 1s|9s2>=-2.8D-01 9s2 0.6978833 -1.5800392 1.0399530** 2.44D-01 <3dh|9d2>=-3.6D-03 9d2 0.6943265 -0.1399807 0.9999210** 1.63D-03 <2ph|9p3>=-9.0D-03 9p3 0.6932782 0.3352030 1.0004018** 6.32D-03 9f1 0.6855775 0.0115606 1.0000178** 5.80D-04 < 2s|9s1>= 3.8D-03 < 1s|9s1>= 2.8D-03 < 2s|9s2>=-3.8D-07 <3sh|9s2>=-7.8D-08 < 1s|9s2>=-2.9D-07 1 -0.011333 2 0.158291 3 -0.289518 4 -0.020554 5 -0.022232 6 -0.046186 7 0.032465 8 -0.049749 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 2.99D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-3.50219E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.31936E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.59985E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.55099E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.32893E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.55097E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.22024E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.09092E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0300796 0.1244585 0.9993068 c 2.65D-02 ED = -32.179137; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01030053637.3778526** 3.41D-01 < 2s|9s1>=-8.0D-02 < 1s|9s1>=-1.7D-01 9s1 0.5311999 0.1085441 1.0218248** 1.41D-01 9d1 0.5495795 -0.0617312 1.0002017** 4.84D-04 <2ph|9p2>= 1.8D-02 9p2 0.6853625 0.1103044 1.0001259** 9.24D-03 < 2s|9s2>= 4.7D-02 <3sh|9s2>= 3.4D-03 < 1s|9s2>= 1.0D-01 9s2 0.6876735 -0.7212131 1.0093804** 8.46D-02 <3dh|9d2>=-1.3D-03 9d2 0.6898019 -0.1399626 0.9999145** 8.44D-04 <2ph|9p3>=-6.8D-03 9p3 0.6908323 0.3380301 0.9995894** 4.37D-03 9f1 0.6867706 0.0115535 1.0001732** 9.95D-04 < 2s|9s1>=-1.9D-06 < 1s|9s1>=-1.4D-06 < 2s|9s2>= 3.3D-07 <3sh|9s2>= 6.7D-08 < 1s|9s2>= 2.5D-07 1 0.011172 2 0.153894 3 -0.289868 4 -0.020605 5 -0.022269 6 -0.046292 7 0.032646 8 -0.049762 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.65D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-3.56393E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.50152E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.58159E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54237E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33941E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54752E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24182E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07756E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305205 0.1243192 0.9988801 c 1.44D-02 ED = -32.652849; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01029673690.5030447** 3.41D-01 < 2s|9s1>= 2.4D-02 < 1s|9s1>= 9.2D-02 9s1 0.5488270 0.6684506 1.0052386** 6.30D-02 9d1 0.5482900 -0.0616754 0.9999344** 2.35D-04 <2ph|9p2>= 1.8D-02 9p2 0.6852813 0.1075027 1.0009048** 8.53D-03 < 2s|9s2>=-6.1D-03 <3sh|9s2>= 3.7D-03 < 1s|9s2>= 1.7D-02 9s2 0.6882353 -0.9473926 0.9996705** 7.40D-03 <3dh|9d2>=-1.2D-03 9d2 0.6882072 -0.1395939 1.0003211** 1.05D-03 <2ph|9p3>=-1.7D-02 9p3 0.6905315 0.3335734 1.0008754** 6.65D-03 9f1 0.6844276 0.0115505 0.9998946** 8.69D-04 < 2s|9s1>= 1.3D-07 < 1s|9s1>= 9.7D-08 < 2s|9s2>= 1.5D-08 <3sh|9s2>= 2.9D-09 < 1s|9s2>= 1.1D-08 1 -0.011104 2 0.153891 3 -0.289578 4 -0.020614 5 -0.022308 6 -0.046286 7 0.032655 8 -0.049701 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.44D-02 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-3.54783E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49528E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57847E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.53750E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33134E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54481E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24077E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07199E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0304853 0.1243042 0.9998800 c 1.15D-03 ED = -32.848475; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01030393713.3370193** 3.41D-01 < 2s|9s1>=-4.5D-02 < 1s|9s1>=-7.6D-02 9s1 0.5492170 0.3120800 1.0063334** 6.69D-02 9d1 0.5491753 -0.0616824 1.0000173** 6.35D-05 <2ph|9p2>= 1.6D-02 9p2 0.6850601 0.1079731 1.0001256** 7.46D-03 < 2s|9s2>= 3.6D-03 <3sh|9s2>= 4.4D-03 < 1s|9s2>= 2.4D-02 9s2 0.6852325 -0.9177321 1.0007781** 1.62D-02 <3dh|9d2>=-9.5D-04 9d2 0.6884004 -0.1396124 0.9999931** 3.17D-04 <2ph|9p3>=-9.8D-03 9p3 0.6903484 0.3349778 1.0001295** 4.76D-03 9f1 0.6865370 0.0115532 0.9999884** 1.46D-04 < 2s|9s1>=-3.2D-07 < 1s|9s1>=-2.4D-07 < 2s|9s2>= 4.5D-08 <3sh|9s2>= 9.0D-09 < 1s|9s2>= 3.3D-08 1 0.011149 2 0.153791 3 -0.289575 4 -0.020596 5 -0.022265 6 -0.046260 7 0.032644 8 -0.049715 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.03D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-3.55906E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49889E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57954E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54061E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33618E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54744E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24181E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07346E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305133 0.1243200 1.0001268 c 9.16D-04 ED = -32.716862; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01029953698.3161744** 3.41D-01 < 2s|9s1>=-5.2D-02 < 1s|9s1>=-9.9D-02 9s1 0.5493416 0.2654312 1.0094325** 8.61D-02 9d1 0.5493010 -0.0616945 0.9999819** 4.18D-05 <2ph|9p2>= 1.4D-02 9p2 0.6858200 0.1076270 1.0002303** 6.12D-03 < 2s|9s2>=-2.2D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.4D-02 9s2 0.6872644 -1.0314865 0.9988088** 2.56D-02 <3dh|9d2>=-1.4D-03 9d2 0.6893319 -0.1396679 0.9999431** 4.52D-04 <2ph|9p3>=-9.8D-03 9p3 0.6907926 0.3350085 1.0001558** 4.34D-03 9f1 0.6863144 0.0115533 0.9999978** 8.41D-06 < 2s|9s1>=-4.7D-07 < 1s|9s1>=-3.5D-07 < 2s|9s2>=-7.0D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.2D-08 1 -0.011155 2 0.153793 3 -0.289592 4 -0.020598 5 -0.022268 6 -0.046263 7 0.032646 8 -0.049718 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.32D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-3.56110E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49937E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57923E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54073E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33602E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54747E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24181E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07342E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305143 0.1243194 0.9999954 c 3.26D-05 ED = -32.697382; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01029913696.2061187** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.3D-02 9s1 0.5492756 0.2993910 1.0075103** 7.39D-02 9d1 0.5492281 -0.0616933 0.9999992** 4.37D-06 <2ph|9p2>= 1.4D-02 9p2 0.6857846 0.1075882 1.0002935** 6.33D-03 < 2s|9s2>=-1.3D-02 <3sh|9s2>= 3.5D-03 < 1s|9s2>=-5.6D-03 9s2 0.6874696 -0.9896649 0.9988810** 1.08D-02 <3dh|9d2>=-1.3D-03 9d2 0.6892457 -0.1396602 0.9999896** 4.42D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907633 0.3349206 1.0001735** 4.52D-03 9f1 0.6861842 0.0115533 0.9999998** 9.53D-06 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-3.1D-08 <3sh|9s2>=-6.2D-09 < 1s|9s2>=-2.3D-08 1 0.011150 2 0.153804 3 -0.289594 4 -0.020600 5 -0.022270 6 -0.046266 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.14D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-3.55996E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49897E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57908E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54059E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33588E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54731E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24170E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07328E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305105 0.1243171 0.9999815 c 1.22D-04 ED = -32.710826; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01029953697.7074767** 3.41D-01 < 2s|9s1>=-4.5D-02 < 1s|9s1>=-8.0D-02 9s1 0.5492603 0.3047234 1.0071749** 7.17D-02 9d1 0.5492126 -0.0616919 1.0000020** 4.57D-06 <2ph|9p2>= 1.5D-02 9p2 0.6857056 0.1076289 1.0002756** 6.45D-03 < 2s|9s2>=-1.0D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.7D-04 9s2 0.6872679 -0.9772784 0.9991312** 6.13D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891516 -0.1396545 0.9999908** 4.20D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907147 0.3349158 1.0001697** 4.55D-03 9f1 0.6861996 0.0115532 1.0000005** 1.65D-06 < 2s|9s1>=-3.4D-07 < 1s|9s1>=-2.5D-07 < 2s|9s2>=-1.9D-08 <3sh|9s2>=-3.8D-09 < 1s|9s2>=-1.4D-08 1 -0.011150 2 0.153804 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046266 7 0.032647 8 -0.049716 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.10D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-3.55972E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49892E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57912E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54057E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33589E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54730E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24170E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07328E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305098 0.1243169 0.9999980 c 2.30D-05 ED = -32.713252; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01029953697.9779729** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.2D-02 9s1 0.5492669 0.3014357 1.0073424** 7.29D-02 9d1 0.5492195 -0.0616920 1.0000002** 6.52D-07 <2ph|9p2>= 1.4D-02 9p2 0.6857080 0.1076332 1.0002706** 6.43D-03 < 2s|9s2>=-1.1D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.2D-03 9s2 0.6872431 -0.9816220 0.9990916** 7.61D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891585 -0.1396550 0.9999864** 4.21D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907172 0.3349241 1.0001681** 4.53D-03 9f1 0.6862128 0.0115532 1.0000001** 9.75D-07 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-2.3D-08 <3sh|9s2>=-4.7D-09 < 1s|9s2>=-1.7D-08 1 0.011150 2 0.153803 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046265 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.12D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-3.55982E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49896E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57914E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54058E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33590E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54732E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24171E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07330E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305100 0.1243170 1.0000012 c 6.02D-06 ED = -32.711984; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01029953697.8342812** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.2D-02 9s1 0.5492688 0.3007561 1.0073838** 7.32D-02 9d1 0.5492214 -0.0616921 0.9999998** 4.08D-07 <2ph|9p2>= 1.4D-02 9p2 0.6857163 0.1076292 1.0002722** 6.42D-03 < 2s|9s2>=-1.2D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.9D-03 9s2 0.6872629 -0.9831543 0.9990623** 8.19D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891686 -0.1396556 0.9999861** 4.23D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907225 0.3349248 1.0001684** 4.53D-03 9f1 0.6862116 0.0115532 1.0000000** 1.07D-07 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-2.5D-08 <3sh|9s2>=-5.0D-09 < 1s|9s2>=-1.8D-08 1 -0.011150 2 0.153803 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046265 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.13D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-3.55985E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49896E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57914E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54058E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33590E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54732E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24171E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07330E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305100 0.1243170 1.0000001 c 8.98D-07 ED = -32.711693; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01029953697.8009357** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.2D-02 9s1 0.5492682 0.3010508 1.0073689** 7.31D-02 9d1 0.5492208 -0.0616921 1.0000000** 7.22D-08 <2ph|9p2>= 1.4D-02 9p2 0.6857165 0.1076285 1.0002727** 6.42D-03 < 2s|9s2>=-1.2D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.7D-03 9s2 0.6872663 -0.9828227 0.9990640** 8.08D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891685 -0.1396556 0.9999866** 4.23D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907225 0.3349240 1.0001686** 4.53D-03 9f1 0.6862102 0.0115532 1.0000000** 9.29D-08 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-2.4D-08 <3sh|9s2>=-4.9D-09 < 1s|9s2>=-1.8D-08 1 0.011150 2 0.153803 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046265 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.12D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-3.55984E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49896E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57914E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54058E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33590E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54732E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24171E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07330E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305100 0.1243170 0.9999998 c 1.05D-06 ED = -32.711807; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01029953697.8137195** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.2D-02 9s1 0.5492681 0.3011262 1.0073644** 7.30D-02 9d1 0.5492206 -0.0616921 1.0000000** 4.03D-08 <2ph|9p2>= 1.4D-02 9p2 0.6857157 0.1076289 1.0002726** 6.42D-03 < 2s|9s2>=-1.2D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.6D-03 9s2 0.6872645 -0.9826721 0.9990668** 8.02D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891675 -0.1396555 0.9999866** 4.23D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907220 0.3349239 1.0001686** 4.53D-03 9f1 0.6862102 0.0115532 1.0000000** 1.37D-08 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-2.4D-08 <3sh|9s2>=-4.9D-09 < 1s|9s2>=-1.8D-08 1 -0.011150 2 0.153803 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046265 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.12D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-3.55984E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49896E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57914E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54058E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33590E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54732E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24171E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07330E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305100 0.1243170 1.0000000 c 2.74D-07 ED = -32.711840; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01029953697.8173864** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.2D-02 9s1 0.5492681 0.3010986 1.0073658** 7.30D-02 9d1 0.5492206 -0.0616921 1.0000000** 9.26D-09 <2ph|9p2>= 1.4D-02 9p2 0.6857157 0.1076290 1.0002725** 6.42D-03 < 2s|9s2>=-1.2D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.7D-03 9s2 0.6872641 -0.9827041 0.9990666** 8.03D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891675 -0.1396555 0.9999866** 4.23D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907220 0.3349240 1.0001686** 4.53D-03 9f1 0.6862104 0.0115532 1.0000000** 9.32D-09 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-2.4D-08 <3sh|9s2>=-4.9D-09 < 1s|9s2>=-1.8D-08 1 0.011150 2 0.153803 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046265 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.12D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-3.55984E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49896E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57914E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54058E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33590E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54732E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24171E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07330E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305100 0.1243170 1.0000000 c 5.13D-08 ED = -32.711830; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01029953697.8162065** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.2D-02 9s1 0.5492681 0.3010899 1.0073663** 7.30D-02 9d1 0.5492207 -0.0616921 1.0000000** 3.50D-09 <2ph|9p2>= 1.4D-02 9p2 0.6857158 0.1076289 1.0002725** 6.42D-03 < 2s|9s2>=-1.2D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.7D-03 9s2 0.6872643 -0.9827215 0.9990663** 8.04D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891676 -0.1396555 0.9999866** 4.23D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907221 0.3349240 1.0001686** 4.53D-03 9f1 0.6862104 0.0115532 1.0000000** 1.10D-09 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-2.4D-08 <3sh|9s2>=-4.9D-09 < 1s|9s2>=-1.8D-08 1 -0.011150 2 0.153803 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046265 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.12D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-3.55984E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49896E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57914E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54058E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33590E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54732E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24171E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07330E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305100 0.1243170 1.0000000 c 1.58D-08 ED = -32.711826; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01029953697.8157886** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.2D-02 9s1 0.5492681 0.3010922 1.0073662** 7.30D-02 9d1 0.5492207 -0.0616921 1.0000000** 9.89D-10 <2ph|9p2>= 1.4D-02 9p2 0.6857158 0.1076289 1.0002726** 6.42D-03 < 2s|9s2>=-1.2D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.7D-03 9s2 0.6872644 -0.9827193 0.9990663** 8.04D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891676 -0.1396555 0.9999866** 4.23D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907221 0.3349240 1.0001686** 4.53D-03 9f1 0.6862103 0.0115532 1.0000000** 8.63D-10 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-2.4D-08 <3sh|9s2>=-4.9D-09 < 1s|9s2>=-1.8D-08 1 0.011150 2 0.153803 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046265 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.12D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-3.55984E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49896E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57914E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54058E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33590E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54732E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24171E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07330E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305100 0.1243170 1.0000000 c 8.59D-09 ED = -32.711827; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01029953697.8158884** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.2D-02 9s1 0.5492681 0.3010932 1.0073661** 7.30D-02 9d1 0.5492207 -0.0616921 1.0000000** 3.33D-10 <2ph|9p2>= 1.4D-02 9p2 0.6857158 0.1076289 1.0002726** 6.42D-03 < 2s|9s2>=-1.2D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.7D-03 9s2 0.6872644 -0.9827176 0.9990663** 8.04D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891676 -0.1396555 0.9999866** 4.23D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907221 0.3349240 1.0001686** 4.53D-03 9f1 0.6862103 0.0115532 1.0000000** 1.34D-10 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-2.4D-08 <3sh|9s2>=-4.9D-09 < 1s|9s2>=-1.8D-08 1 -0.011150 2 0.153803 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046265 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.12D-02 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-3.55984E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49896E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57914E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54058E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33590E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54732E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24171E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07330E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305100 0.1243170 1.0000000 c 3.09D-09 ED = -32.711827; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.01029953697.8159327** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.2D-02 9s1 0.5492681 0.3010930 1.0073661** 7.30D-02 9d1 0.5492207 -0.0616921 1.0000000** 1.16D-10 <2ph|9p2>= 1.4D-02 9p2 0.6857158 0.1076289 1.0002726** 6.42D-03 < 2s|9s2>=-1.2D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.7D-03 9s2 0.6872643 -0.9827178 0.9990663** 8.04D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891676 -0.1396555 0.9999866** 4.23D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907221 0.3349240 1.0001686** 4.53D-03 9f1 0.6862103 0.0115532 1.0000000** 8.45D-11 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-2.4D-08 <3sh|9s2>=-4.9D-09 < 1s|9s2>=-1.8D-08 1 0.011150 2 0.153803 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046265 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.12D-02 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-3.55984E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) =-6.49896E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) =-4.57914E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.54058E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-5.33590E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.54732E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-4.24171E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) = 3.07330E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0305100 0.1243170 1.0000000 c 3.80D-10 ED = -32.711827; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.01029953697.8159240** 3.41D-01 < 2s|9s1>=-4.6D-02 < 1s|9s1>=-8.2D-02 9s1 0.5492681 0.3010929 1.0073661** 7.30D-02 9d1 0.5492207 -0.0616921 1.0000000** 2.86D-11 <2ph|9p2>= 1.4D-02 9p2 0.6857158 0.1076289 1.0002726** 6.42D-03 < 2s|9s2>=-1.2D-02 <3sh|9s2>= 3.6D-03 < 1s|9s2>=-2.7D-03 9s2 0.6872643 -0.9827180 0.9990663** 8.04D-03 <3dh|9d2>=-1.3D-03 9d2 0.6891676 -0.1396555 0.9999866** 4.23D-04 <2ph|9p3>=-1.0D-02 9p3 0.6907221 0.3349240 1.0001686** 4.53D-03 9f1 0.6862103 0.0115532 1.0000000** 1.68D-11 < 2s|9s1>=-3.5D-07 < 1s|9s1>=-2.6D-07 < 2s|9s2>=-2.4D-08 <3sh|9s2>=-4.9D-09 < 1s|9s2>=-1.8D-08 1 -0.011150 2 0.153803 3 -0.289592 4 -0.020600 5 -0.022270 6 -0.046265 7 0.032647 8 -0.049717 LEAST SELF-CONSISTENT FUNCTION IS 9s1 :WEIGHTED MAXIMUM CHANGE = 1.12D-02 k^2 sum(c^2) delta delta/pi 1.000000 0.2759042 0.258223 0.082195 0.980000 0.7036691 0.235825 0.075065 0.960000 2404.1962891 0.151720 0.048294 0.940000 1.1289004 0.231002 0.073530 0.920000 8.7792435 0.323260 0.102897 0.900000 0.7313831 0.246398 0.078431 0.880000 1.2903246 0.229387 0.073016 0.860000 0.1282276 0.232352 0.073960 0.840000 0.0893594 0.208915 0.066500 0.820000 0.0960092 0.209861 0.066801 0.800000 0.1342839 0.200483 0.063816 0.780000 0.2455918 0.174182 0.055444 0.760000 9.7339277 0.068003 0.021646 0.740000 0.1874078 0.238788 0.076008 0.720000 0.0924198 0.241476 0.076864 0.700000 0.0939053 0.241432 0.076850 0.680000 0.1017570 0.275503 0.087695 0.660000 0.1084818 0.262123 0.083436 0.640000 0.2607975 0.215627 0.068636 0.620000 0.1334631 0.212187 0.067541 0.600000 0.1219912 0.203353 0.064729 0.580000 0.1114643 0.209906 0.066815 0.560000 0.1124778 0.204340 0.065044 0.540000 0.1155710 0.195949 0.062372 0.520000 0.1129953 0.195174 0.062126 0.500000 0.1152835 0.188964 0.060149 0.480000 0.1186037 0.180018 0.057302 0.460000 0.1173895 0.176448 0.056165 0.440000 0.1196550 0.168695 0.053697 0.420000 0.1229797 0.157301 0.050070 0.400000 0.1219815 0.153510 0.048864 0.380000 0.1241259 0.142948 0.045502 0.360000 0.1236959 0.135140 0.043016 0.340000 0.1249467 0.123907 0.039441 0.320000 0.1275046 0.104833 0.033369 0.300000 0.1249998 0.101389 0.032273 0.280000 0.1236673 0.089892 0.028614 0.260000 0.1229552 0.074613 0.023750 0.240000 0.1204952 0.062050 0.019751 0.220000 0.1186677 0.040942 0.013032 0.200000 0.1142416 0.030510 0.009712 ======================= UNIX CMCHF ... 1987 ======================= THE DIMENSIONS FOR THE CURRENT VERSION ARE: NCFG= 0 NWF= 30 NO=220 H- 1P 1. 220 15 9 9 F T 3s NOT FOUND IN ELECTRON LIST 3p NOT FOUND IN ELECTRON LIST 3d NOT FOUND IN ELECTRON LIST 2p NOT FOUND IN ELECTRON LIST WAVE FUNCTIONS NOT FOUND FOR 2ph WAVE FUNCTIONS NOT FOUND FOR 3sh WAVE FUNCTIONS NOT FOUND FOR 3ph WAVE FUNCTIONS NOT FOUND FOR 3dh WAVE FUNCTIONS NOT FOUND FOR 9p1 WAVE FUNCTIONS NOT FOUND FOR 9s1 WAVE FUNCTIONS NOT FOUND FOR 9d1 WAVE FUNCTIONS NOT FOUND FOR 9p2 WAVE FUNCTIONS NOT FOUND FOR 9s2 WAVE FUNCTIONS NOT FOUND FOR 9d2 WAVE FUNCTIONS NOT FOUND FOR 9p3 WAVE FUNCTIONS NOT FOUND FOR 9f1 F.0D+00.1D-05 20 00.0 8 F *** CALCULATIONS FOR k^2 = 0.0140 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F Outer region reduced by 76points in CSOLVE. End of range: 139.42126035438 au. kpc 0.0111200 0.0291445 0.0291445 c 1.00D+00 < 2s|9s1>= 1.6D-08 < 1s|9s1>=-1.5D-09 < 2s|9s2>= 1.6D-08 <3sh|9s2>= 3.2D-09 < 1s|9s2>=-1.5D-09 1 -0.001026 2 -0.002346 3 0.008085 4 -0.000035 5 0.001218 6 0.000820 7 -0.000297 8 -0.005888 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-1.03677E+01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 1.88497E+02 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 1.08422E+03 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.23841E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.67751E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.40788E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-3.96412E+01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-4.28250E+02 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0169785 0.0133115 0.4567422 c 1.65D+00 9p1 1715.0418286 -0.00000038588.5131905** 4.34D+00 < 2s|9s1>=-2.4D-01 < 1s|9s1>=-9.3D-01 9s1 0.9168233 -1.6605921 73.1063380** 6.46D-01 9d1 0.6194923 0.0166859 20.8157005** 2.82D-01 <2ph|9p2>= 1.9D-01 9p2 3.3923187 0.5025412 107.1452103** 3.97D-01 < 2s|9s2>= 4.2D-01 <3sh|9s2>=-4.4D-03 < 1s|9s2>= 9.1D-01 9s2 0.7678063 2.0019133 705.3833552** 7.22D-01 <3dh|9d2>=-1.7D-02 9d2 0.4337769 0.0354485 32.7922486** 2.70D-01 <2ph|9p3>= 4.0D-01 9p3 1.1001650 0.0093827 103.9616345** 3.39D-01 9f1 0.7825690 0.0028315 9.0416785** 2.65D-01 < 2s|9s1>= 5.3D-07 < 1s|9s1>= 4.0D-07 < 2s|9s2>=-4.9D-06 <3sh|9s2>=-9.9D-07 < 1s|9s2>=-3.6D-06 1 -0.000002 2 -0.058352 3 0.140298 4 -0.008298 5 0.000887 6 0.013460 7 -0.030910 8 -0.038777 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.65D+00 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-3.50496E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 6.25034E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.40192E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.41344E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.11293E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.61142E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96208E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.73349E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0025192 0.0113671 0.8539343 c 5.74D+00 9p1 2062.9197362 0.0000000************** 4.32D+00 < 2s|9s1>=-1.4D-02 < 1s|9s1>=-3.4D-02 9s1 0.7441229 0.2273520 1.0090713** 5.52D-02 9d1 0.7412435 0.0167026 0.9998498** 1.83D-03 <2ph|9p2>= 1.2D-01 9p2 0.8722437 0.3800676 1.0292454** 8.91D-02 < 2s|9s2>= 2.2D-01 <3sh|9s2>=-1.9D-03 < 1s|9s2>= 9.4D-01 9s2 1.3601961 1.6880460 15.7629507** 1.14D+00 <3dh|9d2>=-4.1D-02 9d2 0.8531736 0.0283323 1.0256328** 6.01D-02 <2ph|9p3>=-3.5D-02 9p3 0.8908168 -0.0937247 1.0022068** 3.05D-02 9f1 0.8906827 0.0027543 1.0049837** 1.38D-02 < 2s|9s1>=-1.0D-07 < 1s|9s1>=-7.4D-08 < 2s|9s2>=-2.0D-07 <3sh|9s2>=-4.1D-08 < 1s|9s2>=-1.5D-07 1 -0.000003 2 -0.059425 3 0.141229 4 -0.008564 5 0.005812 6 0.013364 7 -0.031446 8 -0.039525 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.74D+00 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-3.48776E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 6.12928E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.33786E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.89497E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.08123E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.32803E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.01544E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.70185E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0035276 0.0104662 0.9207390 c 2.86D-01 9p1 736.7823779 -0.00220712311.5676759** 4.06D+00 < 2s|9s1>=-8.7D-02 < 1s|9s1>=-2.9D-01 9s1 0.7384193 -0.2826924 1.0494672** 2.16D-01 9d1 0.7309204 0.0161864 1.0007538** 2.28D-03 <2ph|9p2>= 1.7D-02 9p2 0.8657428 0.3534249 1.0013677** 7.33D-03 < 2s|9s2>=-2.8D-01 <3sh|9s2>=-6.2D-03 < 1s|9s2>=-7.7D-01 9s2 0.8819648 -1.6437385 1.7371970** 5.64D-01 <3dh|9d2>= 3.7D-03 9d2 0.8694190 0.0270890 1.0007035** 3.30D-03 <2ph|9p3>= 2.5D-02 9p3 0.8732214 -0.0782052 1.0003311** 1.08D-02 9f1 0.8684049 0.0026763 1.0005528** 2.21D-03 < 2s|9s1>= 6.7D-07 < 1s|9s1>= 5.0D-07 < 2s|9s2>=-3.2D-08 <3sh|9s2>=-6.4D-09 < 1s|9s2>=-2.4D-08 1 -0.001309 2 -0.059536 3 0.140497 4 -0.008512 5 0.005843 6 0.013297 7 -0.031400 8 -0.039334 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.86D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-3.51568E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 6.04263E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.38647E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.84388E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.06632E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31914E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.02233E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.68430E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0008719 0.0100575 0.9609540 c 3.05D+00 9p1 4359.4482204 0.0000000************** 4.30D+00 < 2s|9s1>=-4.0D-02 < 1s|9s1>=-1.3D-01 9s1 0.7371748 0.0469083 1.0093028** 9.72D-02 9d1 0.7342549 0.0159612 1.0002044** 7.59D-04 <2ph|9p2>= 1.3D-02 9p2 0.8694785 0.3499002 1.0007956** 6.97D-03 < 2s|9s2>= 3.5D-02 <3sh|9s2>=-4.3D-03 < 1s|9s2>= 3.9D-02 9s2 0.8768624 0.0101568 1.0032411** 3.98D-02 <3dh|9d2>=-1.6D-03 9d2 0.8713476 0.0257922 1.0004762** 2.55D-03 <2ph|9p3>= 8.7D-03 9p3 0.8752838 -0.0810214 0.9999815** 4.10D-03 9f1 0.8730964 0.0026537 1.0000635** 3.88D-04 < 2s|9s1>=-1.8D-06 < 1s|9s1>=-1.3D-06 < 2s|9s2>=-1.3D-06 <3sh|9s2>=-2.6D-07 < 1s|9s2>=-9.7D-07 1 0.000002 2 -0.059619 3 0.140242 4 -0.008493 5 0.005862 6 0.013256 7 -0.031414 8 -0.039280 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.05D+00 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-3.52182E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 6.00384E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.41042E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.15360E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05939E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31496E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03001E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.67508E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0040070 0.0098518 0.9795437 c 7.82D-01 9p1 967.0871270 0.00231553080.6718733** 4.30D+00 < 2s|9s1>=-2.5D-02 < 1s|9s1>=-8.8D-02 9s1 0.7367772 0.1339797 1.0040455** 6.45D-02 9d1 0.7345557 0.0158873 1.0001763** 5.34D-04 <2ph|9p2>= 5.3D-03 9p2 0.8722525 0.3524859 0.9990302** 4.68D-03 < 2s|9s2>=-1.7D-01 <3sh|9s2>=-2.3D-03 < 1s|9s2>=-4.6D-01 9s2 0.8780810 -1.0606871 1.1459762** 3.51D-01 <3dh|9d2>= 1.2D-03 9d2 0.8736276 0.0255874 1.0002853** 1.47D-03 <2ph|9p3>= 7.8D-03 9p3 0.8743297 -0.0808149 1.0000122** 3.36D-03 9f1 0.8729405 0.0026415 1.0000891** 3.32D-04 < 2s|9s1>=-4.1D-07 < 1s|9s1>=-3.0D-07 < 2s|9s2>=-8.6D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.4D-08 1 0.001284 2 -0.059662 3 0.140017 4 -0.008468 5 0.005870 6 0.013237 7 -0.031395 8 -0.039216 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.82D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-3.52342E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.97752E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.43019E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.03104E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05546E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31237E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03155E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.67009E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0010392 0.0097645 0.9911432 c 2.86D+00 9p1 4446.0613200 0.0000000************** 2.93D+00 < 2s|9s1>=-4.1D-03 < 1s|9s1>=-1.4D-02 9s1 0.7364833 0.2795866 1.0000824** 1.03D-02 9d1 0.7359863 0.0158739 1.0000064** 1.51D-04 <2ph|9p2>= 5.2D-03 9p2 0.8754877 0.3549260 0.9993526** 3.46D-03 < 2s|9s2>= 7.0D-02 <3sh|9s2>=-1.0D-03 < 1s|9s2>= 2.1D-01 9s2 0.8754431 0.3128363 1.0273057** 1.55D-01 <3dh|9d2>=-1.7D-03 9d2 0.8743483 0.0255296 1.0000566** 5.81D-04 <2ph|9p3>= 4.4D-05 9p3 0.8754889 -0.0823356 0.9999864** 1.73D-04 9f1 0.8751149 0.0026392 0.9999881** 9.20D-05 < 2s|9s1>=-3.0D-08 < 1s|9s1>=-2.3D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.000006 2 -0.059680 3 0.140009 4 -0.008460 5 0.005871 6 0.013227 7 -0.031413 8 -0.039224 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.86D+00 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-3.52510E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.97245E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.43970E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.23447E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05508E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31267E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03455E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66806E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0041090 0.0097099 0.9944039 c 7.47D-01 9p1 330.7412673 0.00227013027.7088931** 2.93D+00 < 2s|9s1>=-1.0D-02 < 1s|9s1>=-3.6D-02 9s1 0.7363389 0.2372890 1.0005880** 2.57D-02 9d1 0.7353790 0.0158164 1.0000852** 2.36D-04 <2ph|9p2>= 6.9D-04 9p2 0.8738575 0.3516683 1.0006556** 2.16D-03 < 2s|9s2>=-1.4D-01 <3sh|9s2>=-9.4D-04 < 1s|9s2>=-3.7D-01 9s2 0.8773038 -0.8947798 1.0886915** 2.85D-01 <3dh|9d2>= 1.2D-03 9d2 0.8750174 0.0252421 1.0001235** 6.62D-04 <2ph|9p3>= 3.6D-03 9p3 0.8743894 -0.0814088 1.0000086** 1.51D-03 9f1 0.8738879 0.0026332 1.0000503** 1.66D-04 < 2s|9s1>=-9.1D-08 < 1s|9s1>=-6.8D-08 < 2s|9s2>=-9.1D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.8D-08 1 0.001274 2 -0.059691 3 0.139903 4 -0.008458 5 0.005875 6 0.013223 7 -0.031394 8 -0.039188 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.47D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-3.52491E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.96212E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44052E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.07151E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05302E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31100E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03370E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66672E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0010893 0.0096946 0.9984231 c 2.77D+00 9p1 4479.9873787 0.0000000************** 4.31D+00 < 2s|9s1>= 4.5D-03 < 1s|9s1>= 1.4D-02 9s1 0.7363223 0.3342781 1.0001080** 1.03D-02 9d1 0.7363956 0.0158567 0.9999592** 1.66D-04 <2ph|9p2>= 3.5D-03 9p2 0.8769844 0.3565858 0.9989319** 4.49D-03 < 2s|9s2>= 8.0D-02 <3sh|9s2>=-2.1D-04 < 1s|9s2>= 2.5D-01 9s2 0.8750630 0.3886775 1.0390144** 1.85D-01 <3dh|9d2>=-1.8D-03 9d2 0.8750341 0.0254949 0.9999707** 7.05D-04 <2ph|9p3>=-2.0D-03 9p3 0.8755434 -0.0826446 0.9999950** 8.01D-04 9f1 0.8755951 0.0026359 0.9999685** 1.08D-04 < 2s|9s1>= 2.6D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.000002 2 -0.059694 3 0.139953 4 -0.008451 5 0.005873 6 0.013220 7 -0.031413 8 -0.039210 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.77D+00 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-3.52594E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.96496E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44708E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.25414E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05405E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31210E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03561E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66637E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0041337 0.0096754 0.9980235 c 7.36D-01 9p1 957.8319337 0.00234142930.0539765** 4.31D+00 < 2s|9s1>=-6.4D-03 < 1s|9s1>=-2.3D-02 9s1 0.7362361 0.2616228 1.0002190** 1.66D-02 9d1 0.7355741 0.0157989 1.0000639** 1.76D-04 <2ph|9p2>=-3.6D-04 9p2 0.8742428 0.3514783 1.0011151** 3.90D-03 < 2s|9s2>=-1.4D-01 <3sh|9s2>=-6.3D-04 < 1s|9s2>=-3.5D-01 9s2 0.8770912 -0.8480302 1.0761030** 2.67D-01 <3dh|9d2>= 1.2D-03 9d2 0.8753365 0.0251573 1.0000868** 5.98D-04 <2ph|9p3>= 2.6D-03 9p3 0.8744060 -0.0815478 1.0000106** 1.07D-03 9f1 0.8741144 0.0026312 1.0000412** 1.32D-04 < 2s|9s1>=-5.3D-08 < 1s|9s1>=-3.9D-08 < 2s|9s2>=-9.2D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.001270 2 -0.059699 3 0.139875 4 -0.008456 5 0.005876 6 0.013220 7 -0.031393 8 -0.039182 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.36D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-3.52529E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.95837E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44303E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.08165E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05243E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31067E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03423E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66590E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0011050 0.0096774 1.0002096 c 2.74D+00 9p1 4494.1714842 0.0000000************** 4.04D+00 < 2s|9s1>= 6.7D-03 < 1s|9s1>= 2.1D-02 9s1 0.7362954 0.3479147 1.0002375** 1.54D-02 9d1 0.7364935 0.0158421 0.9999480** 1.71D-04 <2ph|9p2>= 3.2D-03 9p2 0.8772088 0.3558403 0.9989149** 4.72D-03 < 2s|9s2>= 8.1D-02 <3sh|9s2>=-8.3D-05 < 1s|9s2>= 2.6D-01 9s2 0.8749906 0.4004700 1.0412587** 1.90D-01 <3dh|9d2>=-1.8D-03 9d2 0.8752015 0.0254127 0.9999487** 7.40D-04 <2ph|9p3>=-2.5D-03 9p3 0.8755562 -0.0827209 0.9999975** 1.01D-03 9f1 0.8757103 0.0026345 0.9999638** 1.18D-04 < 2s|9s1>= 3.7D-08 < 1s|9s1>= 2.8D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.4D-08 < 1s|9s2>=-1.3D-07 1 0.000004 2 -0.059697 3 0.139940 4 -0.008450 5 0.005873 6 0.013218 7 -0.031413 8 -0.039207 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.74D+00 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-3.52607E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.96312E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44839E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.25835E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05378E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31195E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03587E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66597E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0041398 0.0096668 0.9989003 c 7.33D-01 9p1 689.4896086 0.00232452143.3937900** 4.04D+00 < 2s|9s1>=-5.5D-03 < 1s|9s1>=-2.0D-02 9s1 0.7362097 0.2677365 1.0001526** 1.43D-02 9d1 0.7356232 0.0157948 1.0000582** 1.73D-04 <2ph|9p2>=-6.2D-04 9p2 0.8743357 0.3514351 1.0011370** 4.16D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>=-5.5D-04 < 1s|9s2>=-3.4D-01 9s2 0.8770347 -0.8347897 1.0728172** 2.62D-01 <3dh|9d2>= 1.2D-03 9d2 0.8754155 0.0251368 1.0000790** 5.82D-04 <2ph|9p3>= 2.4D-03 9p3 0.8744112 -0.0815837 1.0000112** 9.63D-04 9f1 0.8741716 0.0026307 1.0000388** 1.24D-04 < 2s|9s1>=-4.5D-08 < 1s|9s1>=-3.3D-08 < 2s|9s2>=-9.3D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.001272 2 -0.059700 3 0.139868 4 -0.008455 5 0.005877 6 0.013219 7 -0.031393 8 -0.039180 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.33D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-3.52538E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.95747E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44364E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.08383E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05229E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31059E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03435E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66570E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0011029 0.0096731 1.0006520 c 2.75D+00 9p1 4488.4062431 0.0000000************** 4.00D+00 < 2s|9s1>= 1.5D-03 < 1s|9s1>= 1.4D-02 9s1 0.7359366 0.3287475 1.0002837** 8.63D-03 9d1 0.7365158 0.0157834 0.9999474** 1.72D-04 <2ph|9p2>=-6.3D-04 9p2 0.8739735 0.3485610 1.0009498** 3.70D-03 < 2s|9s2>= 1.5D-01 <3sh|9s2>= 1.4D-03 < 1s|9s2>= 3.8D-01 9s2 0.8743542 0.6827972 1.0955145** 2.92D-01 <3dh|9d2>=-1.7D-03 9d2 0.8751469 0.0249209 0.9999700** 7.12D-04 <2ph|9p3>=-2.6D-03 9p3 0.8755205 -0.0826629 1.0000033** 1.07D-03 9f1 0.8757275 0.0026319 0.9999621** 1.24D-04 < 2s|9s1>= 2.1D-08 < 1s|9s1>= 1.6D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.4D-08 < 1s|9s2>=-1.2D-07 1 -0.000004 2 -0.059699 3 0.139937 4 -0.008466 5 0.005875 6 0.013218 7 -0.031411 8 -0.039205 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.75D+00 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-3.52573E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.96256E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.43816E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.26183E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05306E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31162E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03586E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66606E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0041370 0.0096636 0.9990236 c 7.33D-01 9p1 666.7877136 -0.00232072165.5890005** 4.00D+00 < 2s|9s1>=-5.1D-03 < 1s|9s1>=-1.9D-02 9s1 0.7361995 0.2700573 1.0001207** 1.34D-02 9d1 0.7356433 0.0157957 1.0000532** 1.72D-04 <2ph|9p2>=-1.1D-03 9p2 0.8743990 0.3513649 0.9990646** 3.35D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 3.9D-04 < 1s|9s2>=-3.4D-01 9s2 0.8768461 -0.8310731 1.0719209** 2.59D-01 <3dh|9d2>= 1.1D-03 9d2 0.8754698 0.0251322 1.0000505** 5.42D-04 <2ph|9p3>= 2.3D-03 9p3 0.8744474 -0.0816068 1.0000058** 9.29D-04 9f1 0.8742055 0.0026306 1.0000379** 1.22D-04 < 2s|9s1>=-4.2D-08 < 1s|9s1>=-3.1D-08 < 2s|9s2>=-9.3D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 -0.001272 2 -0.059701 3 0.139868 4 -0.008455 5 0.005877 6 0.013219 7 -0.031393 8 -0.039180 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.33D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-3.52540E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.95738E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44371E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.08421E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05228E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31059E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03437E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66568E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0011043 0.0096712 1.0007837 c 2.75D+00 9p1 4488.5372141 0.0000000************** 2.96D+00 < 2s|9s1>= 2.4D-03 < 1s|9s1>= 1.5D-02 9s1 0.7359963 0.3316834 1.0002675** 9.65D-03 9d1 0.7365102 0.0157866 0.9999488** 1.71D-04 <2ph|9p2>= 5.8D-06 9p2 0.8743936 0.3491774 1.0006833** 2.50D-03 < 2s|9s2>= 1.4D-01 <3sh|9s2>= 1.2D-03 < 1s|9s2>= 3.6D-01 9s2 0.8744584 0.6380920 1.0849097** 2.76D-01 <3dh|9d2>=-1.7D-03 9d2 0.8751575 0.0249585 0.9999649** 7.20D-04 <2ph|9p3>=-2.6D-03 9p3 0.8755235 -0.0826683 1.0000031** 1.06D-03 9f1 0.8757226 0.0026319 0.9999631** 1.19D-04 < 2s|9s1>= 2.4D-08 < 1s|9s1>= 1.8D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.4D-08 < 1s|9s2>=-1.2D-07 1 0.000008 2 -0.059700 3 0.139935 4 -0.008464 5 0.005875 6 0.013218 7 -0.031411 8 -0.039205 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.75D+00 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-3.52584E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.96240E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.43956E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.26168E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05313E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31164E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03589E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66600E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0041384 0.0096627 0.9991206 c 7.33D-01 9p1 313.3467148 0.00227012355.2152436** 2.96D+00 < 2s|9s1>=-5.0D-03 < 1s|9s1>=-1.9D-02 9s1 0.7361972 0.2704574 1.0001189** 1.32D-02 9d1 0.7356460 0.0157950 1.0000528** 1.72D-04 <2ph|9p2>=-1.0D-03 9p2 0.8743929 0.3513722 0.9993260** 2.30D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>= 2.6D-04 < 1s|9s2>=-3.4D-01 9s2 0.8768674 -0.8296919 1.0715978** 2.59D-01 <3dh|9d2>= 1.2D-03 9d2 0.8754685 0.0251298 1.0000538** 5.45D-04 <2ph|9p3>= 2.3D-03 9p3 0.8744434 -0.0816072 1.0000065** 9.23D-04 9f1 0.8742070 0.0026306 1.0000376** 1.21D-04 < 2s|9s1>=-4.1D-08 < 1s|9s1>=-3.1D-08 < 2s|9s2>=-9.3D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.001272 2 -0.059701 3 0.139867 4 -0.008455 5 0.005877 6 0.013219 7 -0.031393 8 -0.039180 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.33D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-3.52542E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.95727E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44378E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.08449E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05226E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31058E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03438E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66566E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0011036 0.0096708 1.0008334 c 2.75D+00 9p1 4486.9780478 0.0000000************** 2.96D+00 < 2s|9s1>= 6.0D-03 < 1s|9s1>= 2.0D-02 9s1 0.7362119 0.3462311 1.0002678** 1.48D-02 9d1 0.7365155 0.0158307 0.9999468** 1.72D-04 <2ph|9p2>= 2.3D-03 9p2 0.8766592 0.3547365 0.9992841** 3.06D-03 < 2s|9s2>= 9.5D-02 <3sh|9s2>= 2.9D-04 < 1s|9s2>= 2.9D-01 9s2 0.8748371 0.4636667 1.0511072** 2.13D-01 <3dh|9d2>=-1.8D-03 9d2 0.8752218 0.0253244 0.9999484** 7.45D-04 <2ph|9p3>=-2.6D-03 9p3 0.8755500 -0.0827183 1.0000000** 1.06D-03 9f1 0.8757343 0.0026338 0.9999632** 1.18D-04 < 2s|9s1>= 3.6D-08 < 1s|9s1>= 2.7D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.4D-08 < 1s|9s2>=-1.3D-07 1 0.000007 2 -0.059699 3 0.139935 4 -0.008452 5 0.005874 6 0.013218 7 -0.031412 8 -0.039206 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.75D+00 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-3.52614E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.96243E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44684E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.26073E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05355E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31184E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03595E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66586E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0041414 0.0096632 0.9992210 c 7.34D-01 9p1 321.9680932 0.00227422630.4098787** 2.96D+00 < 2s|9s1>=-5.1D-03 < 1s|9s1>=-1.9D-02 9s1 0.7361998 0.2699258 1.0001304** 1.35D-02 9d1 0.7356406 0.0157934 1.0000554** 1.72D-04 <2ph|9p2>=-7.9D-04 9p2 0.8743698 0.3514060 1.0007465** 2.77D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>=-3.3D-04 < 1s|9s2>=-3.4D-01 9s2 0.8769805 -0.8313937 1.0719732** 2.60D-01 <3dh|9d2>= 1.2D-03 9d2 0.8754474 0.0251285 1.0000697** 5.68D-04 <2ph|9p3>= 2.3D-03 9p3 0.8744193 -0.0815967 1.0000102** 9.28D-04 9f1 0.8741934 0.0026305 1.0000378** 1.21D-04 < 2s|9s1>=-4.2D-08 < 1s|9s1>=-3.1D-08 < 2s|9s2>=-9.3D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.001272 2 -0.059701 3 0.139866 4 -0.008455 5 0.005877 6 0.013219 7 -0.031393 8 -0.039179 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.34D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-3.52543E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.95713E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44386E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.08469E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05224E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31057E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03440E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66563E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0011032 0.0096713 1.0008309 c 2.75D+00 9p1 4487.1386351 0.0000000************** 4.32D+00 < 2s|9s1>= 7.0D-03 < 1s|9s1>= 2.2D-02 9s1 0.7362555 0.3505590 1.0002898** 1.64D-02 9d1 0.7365253 0.0158459 0.9999445** 1.72D-04 <2ph|9p2>= 2.8D-03 9p2 0.8772706 0.3565440 0.9989154** 4.40D-03 < 2s|9s2>= 8.6D-02 <3sh|9s2>= 1.1D-04 < 1s|9s2>= 2.7D-01 9s2 0.8749125 0.4255373 1.0451550** 1.99D-01 <3dh|9d2>=-1.8D-03 9d2 0.8752465 0.0254440 0.9999444** 7.52D-04 <2ph|9p3>=-2.7D-03 9p3 0.8755589 -0.0827376 0.9999991** 1.08D-03 9f1 0.8757470 0.0026346 0.9999624** 1.21D-04 < 2s|9s1>= 3.9D-08 < 1s|9s1>= 2.9D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.4D-08 < 1s|9s2>=-1.3D-07 1 0.000002 2 -0.059699 3 0.139935 4 -0.008449 5 0.005874 6 0.013218 7 -0.031413 8 -0.039206 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.75D+00 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-3.52620E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.96248E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44885E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.26067E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05367E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31189E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03596E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66583E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0041418 0.0096638 0.9992250 c 7.34D-01 9p1 908.9808244 0.00234042915.8211065** 4.31D+00 < 2s|9s1>=-5.2D-03 < 1s|9s1>=-1.9D-02 9s1 0.7362017 0.2696791 1.0001338** 1.36D-02 9d1 0.7356386 0.0157931 1.0000565** 1.73D-04 <2ph|9p2>=-7.2D-04 9p2 0.8743696 0.3514133 1.0011373** 4.04D-03 < 2s|9s2>=-1.3D-01 <3sh|9s2>=-4.8D-04 < 1s|9s2>=-3.4D-01 9s2 0.8770114 -0.8325541 1.0722264** 2.61D-01 <3dh|9d2>= 1.2D-03 9d2 0.8754429 0.0251289 1.0000735** 5.75D-04 <2ph|9p3>= 2.3D-03 9p3 0.8744132 -0.0815938 1.0000111** 9.29D-04 9f1 0.8741896 0.0026305 1.0000381** 1.22D-04 < 2s|9s1>=-4.2D-08 < 1s|9s1>=-3.1D-08 < 2s|9s2>=-9.3D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-6.9D-08 1 0.001273 2 -0.059701 3 0.139866 4 -0.008455 5 0.005877 6 0.013219 7 -0.031393 8 -0.039179 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.34D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-3.52542E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.95713E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44386E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.08447E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05223E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31056E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03440E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66563E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0010998 0.0096716 1.0008119 c 2.77D+00 9p1 4483.2242838 0.0000000************** 2.96D+00 < 2s|9s1>= 6.3D-03 < 1s|9s1>= 2.1D-02 9s1 0.7362142 0.3481258 1.0002874** 1.55D-02 9d1 0.7365274 0.0158327 0.9999444** 1.73D-04 <2ph|9p2>= 2.4D-03 9p2 0.8767583 0.3549094 0.9992293** 3.24D-03 < 2s|9s2>= 9.4D-02 <3sh|9s2>= 2.9D-04 < 1s|9s2>= 2.9D-01 9s2 0.8748378 0.4630446 1.0511083** 2.13D-01 <3dh|9d2>=-1.8D-03 9d2 0.8752381 0.0253381 0.9999468** 7.48D-04 <2ph|9p3>=-2.7D-03 9p3 0.8755550 -0.0827321 0.9999995** 1.09D-03 9f1 0.8757489 0.0026340 0.9999620** 1.23D-04 < 2s|9s1>= 3.7D-08 < 1s|9s1>= 2.8D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.4D-08 < 1s|9s2>=-1.3D-07 1 0.000007 2 -0.059699 3 0.139935 4 -0.008452 5 0.005874 6 0.013218 7 -0.031412 8 -0.039206 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.77D+00 *** CALCULATIONS FOR k^2 = 0.0130 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 0.000007 2 -0.059621 3 0.139770 4 -0.008447 5 0.005866 6 0.013205 7 -0.031383 8 -0.039178 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-3.53159E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.97044E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.44921E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.25648E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.05561E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.31360E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-2.03833E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.66925E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 76points in CSOLVE. End of range: 139.42126035438 au. kpc -0.0031790 0.0091643 0.9475484 c 6.54D-01 9p1 302.0522582 0.00213552654.0871177** 2.96D+00 < 2s|9s1>=-2.0D-01 < 1s|9s1>=-7.2D-01 9s1 0.7366953 -1.1777397 1.5052391** 5.44D-01 9d1 0.7117116 0.0151820 1.0036805** 9.31D-03 <2ph|9p2>=-7.5D-02 9p2 0.8423641 0.3265896 1.0056342** 3.43D-02 < 2s|9s2>=-3.4D-01 <3sh|9s2>=-1.1D-03 < 1s|9s2>=-9.4D-01 9s2 0.9343884 -1.9234202 16.3635731** 6.78D-01 <3dh|9d2>= 7.2D-02 9d2 0.8820053 0.0235680 1.0096919** 3.02D-02 <2ph|9p3>= 1.4D-01 9p3 0.8474393 -0.0490743 1.0105378** 5.82D-02 9f1 0.8338444 0.0025483 1.0020354** 5.54D-03 < 2s|9s1>= 4.2D-07 < 1s|9s1>= 3.1D-07 < 2s|9s2>= 1.1D-06 <3sh|9s2>= 2.1D-07 < 1s|9s2>= 7.9D-07 1 0.001218 2 -0.059675 3 0.136141 4 -0.008304 5 0.005230 6 0.013398 7 -0.030580 8 -0.037875 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.54D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-3.42924E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.69546E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46415E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.92297E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.16418E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.44265E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.95472E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.63108E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0000412 0.0091147 0.9945879 c 7.62D+01 9p1 4870.0853461 0.0000000************** 2.94D+00 < 2s|9s1>=-6.0D-03 < 1s|9s1>=-2.6D-02 9s1 0.7371785 0.2513618 1.0011067** 2.35D-02 9d1 0.7366906 0.0153679 0.9995452** 1.60D-03 <2ph|9p2>= 9.0D-03 9p2 0.8733629 0.3490409 0.9992185** 7.06D-03 < 2s|9s2>= 4.8D-02 <3sh|9s2>= 5.0D-03 < 1s|9s2>=-4.1D-02 9s2 0.8729774 -0.0935471 1.1997235** 2.16D-01 <3dh|9d2>=-3.5D-03 9d2 0.8733987 0.0229957 0.9996521** 3.01D-03 <2ph|9p3>= 4.1D-03 9p3 0.8769647 -0.0799531 0.9995934** 3.84D-03 9f1 0.8755670 0.0025895 0.9995320** 1.80D-03 < 2s|9s1>=-5.9D-08 < 1s|9s1>=-4.4D-08 < 2s|9s2>= 5.0D-08 <3sh|9s2>= 1.0D-08 < 1s|9s2>= 3.8D-08 1 -0.000006 2 -0.059723 3 0.136028 4 -0.008317 5 0.006229 6 0.013359 7 -0.030610 8 -0.037856 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.62D+01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-3.40692E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.68432E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46095E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.92364E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.84099E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.21131E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96342E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62499E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0027167 0.0091018 0.9985853 c 9.85D-01 9p1 329.3209310 -0.00213223265.3412903** 2.94D+00 < 2s|9s1>=-3.4D-03 < 1s|9s1>=-1.4D-02 9s1 0.7375010 0.2709174 1.0001408** 1.03D-02 9d1 0.7369115 0.0153735 1.0000327** 1.66D-04 <2ph|9p2>= 1.3D-03 9p2 0.8756212 0.3446676 1.0006194** 3.81D-03 < 2s|9s2>=-2.9D-02 <3sh|9s2>=-1.2D-03 < 1s|9s2>=-7.5D-02 9s2 0.8789618 -0.2874458 1.0027418** 5.79D-02 <3dh|9d2>= 3.9D-04 9d2 0.8767619 0.0231078 0.9999861** 4.14D-04 <2ph|9p3>= 1.3D-03 9p3 0.8756985 -0.0803524 1.0000041** 5.44D-04 9f1 0.8755361 0.0025877 1.0000129** 6.25D-05 < 2s|9s1>=-2.9D-08 < 1s|9s1>=-2.1D-08 < 2s|9s2>=-7.2D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.3D-08 1 -0.001063 2 -0.059744 3 0.135993 4 -0.008319 5 0.006236 6 0.013359 7 -0.030600 8 -0.037841 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.85D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-3.40321E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.67848E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46030E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.80075E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.81950E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.20976E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96270E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62474E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001642 0.0091054 1.0003903 c 1.55D+01 9p1 5578.5471489 0.0000000************** 2.95D+00 < 2s|9s1>= 4.2D-03 < 1s|9s1>= 1.4D-02 9s1 0.7372941 0.3243044 1.0001258** 1.02D-02 9d1 0.7374108 0.0154010 0.9999607** 1.43D-04 <2ph|9p2>= 1.5D-03 9p2 0.8771939 0.3467898 0.9994422** 2.34D-03 < 2s|9s2>= 4.5D-02 <3sh|9s2>= 1.7D-04 < 1s|9s2>= 1.5D-01 9s2 0.8767545 0.1754396 1.0137244** 1.11D-01 <3dh|9d2>=-1.2D-03 9d2 0.8765000 0.0232628 0.9999642** 4.83D-04 <2ph|9p3>=-1.8D-03 9p3 0.8763459 -0.0810517 0.9999991** 7.24D-04 9f1 0.8764681 0.0025901 0.9999745** 8.55D-05 < 2s|9s1>= 2.6D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-2.2D-07 <3sh|9s2>=-4.5D-08 < 1s|9s2>=-1.7D-07 1 -0.000006 2 -0.059738 3 0.136034 4 -0.008317 5 0.006232 6 0.013357 7 -0.030613 8 -0.037859 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.55D+01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-3.40366E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.68243E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46277E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.92058E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.82889E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.21077E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96397E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62489E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0027189 0.0090986 0.9992560 c 9.40D-01 9p1 363.8936838 -0.00213372669.4424729** 2.95D+00 < 2s|9s1>=-3.7D-03 < 1s|9s1>=-1.4D-02 9s1 0.7374021 0.2706412 1.0000562** 9.70D-03 9d1 0.7368399 0.0153714 1.0000445** 1.45D-04 <2ph|9p2>=-3.1D-04 9p2 0.8755442 0.3443464 1.0005738** 2.11D-03 < 2s|9s2>=-8.0D-02 <3sh|9s2>=-2.2D-04 < 1s|9s2>=-2.1D-01 9s2 0.8785674 -0.5638614 1.0247356** 1.60D-01 <3dh|9d2>= 8.0D-04 9d2 0.8768888 0.0231100 1.0000508** 3.84D-04 <2ph|9p3>= 1.6D-03 9p3 0.8755742 -0.0802752 1.0000079** 6.50D-04 9f1 0.8754017 0.0025875 1.0000293** 9.27D-05 < 2s|9s1>=-2.9D-08 < 1s|9s1>=-2.2D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.001065 2 -0.059744 3 0.135989 4 -0.008319 5 0.006236 6 0.013359 7 -0.030599 8 -0.037840 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.40D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-3.40312E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.67815E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46051E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.79428E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.81898E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.20975E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96267E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62465E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001641 0.0091034 1.0005274 c 1.56D+01 9p1 5570.7077089 0.0000000************** 2.95D+00 < 2s|9s1>= 1.5D-03 < 1s|9s1>= 1.0D-02 9s1 0.7371216 0.3144447 1.0001682** 6.71D-03 9d1 0.7374251 0.0153638 0.9999583** 1.44D-04 <2ph|9p2>=-3.2D-04 9p2 0.8754365 0.3423222 1.0005537** 2.13D-03 < 2s|9s2>= 8.2D-02 <3sh|9s2>= 9.2D-04 < 1s|9s2>= 2.2D-01 9s2 0.8764472 0.3403260 1.0304630** 1.70D-01 <3dh|9d2>=-1.2D-03 9d2 0.8764469 0.0229694 0.9999742** 4.94D-04 <2ph|9p3>=-1.9D-03 9p3 0.8763385 -0.0810289 1.0000001** 7.50D-04 9f1 0.8764887 0.0025884 0.9999709** 9.38D-05 < 2s|9s1>= 1.7D-08 < 1s|9s1>= 1.3D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.8D-08 < 1s|9s2>=-1.4D-07 1 0.000007 2 -0.059739 3 0.136033 4 -0.008325 5 0.006233 6 0.013357 7 -0.030612 8 -0.037858 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.56D+01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-3.40350E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.68224E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.45709E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.92232E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.82564E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.21063E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96394E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62496E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0027173 0.0090969 0.9992898 c 9.40D-01 9p1 337.2549820 0.00212722518.4032143** 2.95D+00 < 2s|9s1>=-3.6D-03 < 1s|9s1>=-1.3D-02 9s1 0.7373996 0.2715463 1.0000463** 9.34D-03 9d1 0.7368491 0.0153720 1.0000420** 1.44D-04 <2ph|9p2>=-5.2D-04 9p2 0.8755718 0.3443151 0.9994493** 1.97D-03 < 2s|9s2>=-8.0D-02 <3sh|9s2>= 2.3D-04 < 1s|9s2>=-2.1D-01 9s2 0.8784866 -0.5575913 1.0239638** 1.58D-01 <3dh|9d2>= 7.5D-04 9d2 0.8769086 0.0231077 1.0000395** 3.64D-04 <2ph|9p3>= 1.6D-03 9p3 0.8755950 -0.0802867 1.0000053** 6.34D-04 9f1 0.8754191 0.0025875 1.0000291** 9.24D-05 < 2s|9s1>=-2.8D-08 < 1s|9s1>=-2.1D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 0.001065 2 -0.059744 3 0.135989 4 -0.008319 5 0.006236 6 0.013359 7 -0.030599 8 -0.037840 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.40D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-3.40314E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.67813E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46053E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.79455E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.81900E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.20975E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96268E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62465E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001648 0.0091024 1.0005976 c 1.55D+01 9p1 5570.8110870 0.0000000************** 2.96D+00 < 2s|9s1>= 1.4D-03 < 1s|9s1>= 1.0D-02 9s1 0.7371194 0.3137181 1.0001654** 6.45D-03 9d1 0.7374205 0.0153631 0.9999594** 1.44D-04 <2ph|9p2>=-3.6D-04 9p2 0.8754037 0.3423096 1.0005731** 2.19D-03 < 2s|9s2>= 8.2D-02 <3sh|9s2>= 9.3D-04 < 1s|9s2>= 2.2D-01 9s2 0.8764438 0.3399850 1.0303866** 1.70D-01 <3dh|9d2>=-1.2D-03 9d2 0.8764422 0.0229661 0.9999744** 4.96D-04 <2ph|9p3>=-1.8D-03 9p3 0.8763359 -0.0810224 1.0000005** 7.43D-04 9f1 0.8764829 0.0025883 0.9999715** 9.12D-05 < 2s|9s1>= 1.6D-08 < 1s|9s1>= 1.2D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.8D-08 < 1s|9s2>=-1.4D-07 1 -0.000007 2 -0.059739 3 0.136032 4 -0.008325 5 0.006233 6 0.013356 7 -0.030612 8 -0.037858 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.55D+01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-3.40353E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.68215E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.45706E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.92255E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.82546E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.21062E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96395E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62494E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0027176 0.0090964 0.9993424 c 9.39D-01 9p1 349.7937569 -0.00212982336.6902472** 2.96D+00 < 2s|9s1>=-3.5D-03 < 1s|9s1>=-1.3D-02 9s1 0.7373986 0.2717877 1.0000452** 9.25D-03 9d1 0.7368510 0.0153717 1.0000416** 1.44D-04 <2ph|9p2>=-5.3D-04 9p2 0.8755749 0.3443140 0.9994324** 2.02D-03 < 2s|9s2>=-7.9D-02 <3sh|9s2>= 2.4D-04 < 1s|9s2>=-2.1D-01 9s2 0.8784833 -0.5570356 1.0238948** 1.57D-01 <3dh|9d2>= 7.5D-04 9d2 0.8769104 0.0231063 1.0000388** 3.63D-04 <2ph|9p3>= 1.6D-03 9p3 0.8755960 -0.0802876 1.0000053** 6.31D-04 9f1 0.8754214 0.0025875 1.0000289** 9.17D-05 < 2s|9s1>=-2.8D-08 < 1s|9s1>=-2.1D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.001065 2 -0.059744 3 0.135989 4 -0.008319 5 0.006236 6 0.013359 7 -0.030599 8 -0.037840 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.39D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-3.40315E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.67807E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46057E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.79470E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.81892E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.20974E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96268E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62464E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001649 0.0091021 1.0006275 c 1.55D+01 9p1 5570.9393337 0.0000000************** 2.96D+00 < 2s|9s1>= 4.5D-03 < 1s|9s1>= 1.5D-02 9s1 0.7373008 0.3260211 1.0001389** 1.08D-02 9d1 0.7374234 0.0154017 0.9999579** 1.44D-04 <2ph|9p2>= 1.7D-03 9p2 0.8773236 0.3471178 0.9993652** 2.65D-03 < 2s|9s2>= 4.7D-02 <3sh|9s2>= 1.4D-04 < 1s|9s2>= 1.6D-01 9s2 0.8767719 0.1845359 1.0145276** 1.13D-01 <3dh|9d2>=-1.2D-03 9d2 0.8764905 0.0232747 0.9999615** 5.16D-04 <2ph|9p3>=-1.8D-03 9p3 0.8763579 -0.0810651 0.9999978** 7.44D-04 9f1 0.8764909 0.0025900 0.9999717** 8.97D-05 < 2s|9s1>= 2.7D-08 < 1s|9s1>= 2.0D-08 < 2s|9s2>=-2.2D-07 <3sh|9s2>=-4.4D-08 < 1s|9s2>=-1.6D-07 1 -0.000007 2 -0.059738 3 0.136032 4 -0.008316 5 0.006232 6 0.013357 7 -0.030613 8 -0.037858 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.55D+01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-3.40379E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.68218E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46336E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.92179E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.82886E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.21077E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96400E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62482E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0027199 0.0090969 0.9994252 c 9.39D-01 9p1 349.3107802 -0.00213142344.5073254** 2.96D+00 < 2s|9s1>=-3.6D-03 < 1s|9s1>=-1.3D-02 9s1 0.7374007 0.2713037 1.0000538** 9.46D-03 9d1 0.7368461 0.0153704 1.0000438** 1.44D-04 <2ph|9p2>=-2.9D-04 9p2 0.8755528 0.3443453 1.0006591** 2.39D-03 < 2s|9s2>=-8.0D-02 <3sh|9s2>=-2.6D-04 < 1s|9s2>=-2.1D-01 9s2 0.8785707 -0.5586981 1.0240869** 1.58D-01 <3dh|9d2>= 8.0D-04 9d2 0.8768931 0.0231054 1.0000512** 3.82D-04 <2ph|9p3>= 1.6D-03 9p3 0.8755757 -0.0802785 1.0000084** 6.35D-04 9f1 0.8754095 0.0025874 1.0000291** 9.21D-05 < 2s|9s1>=-2.8D-08 < 1s|9s1>=-2.1D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.001065 2 -0.059745 3 0.135988 4 -0.008319 5 0.006236 6 0.013359 7 -0.030599 8 -0.037840 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.39D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-3.40316E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.67797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46063E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.79485E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.81871E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.20973E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96270E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62461E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001645 0.0091025 1.0006230 c 1.55D+01 9p1 5571.0693030 0.0000000************** 2.94D+00 < 2s|9s1>= 1.7D-03 < 1s|9s1>= 1.1D-02 9s1 0.7371259 0.3155186 1.0001711** 7.11D-03 9d1 0.7374297 0.0153659 0.9999576** 1.44D-04 <2ph|9p2>=-2.7D-04 9p2 0.8755416 0.3426320 1.0004918** 1.91D-03 < 2s|9s2>= 8.1D-02 <3sh|9s2>= 9.0D-04 < 1s|9s2>= 2.2D-01 9s2 0.8764545 0.3347462 1.0297955** 1.68D-01 <3dh|9d2>=-1.2D-03 9d2 0.8764558 0.0229872 0.9999728** 4.96D-04 <2ph|9p3>=-1.9D-03 9p3 0.8763399 -0.0810334 1.0000001** 7.60D-04 9f1 0.8764941 0.0025884 0.9999706** 9.46D-05 < 2s|9s1>= 1.8D-08 < 1s|9s1>= 1.3D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.8D-08 < 1s|9s2>=-1.4D-07 1 0.000006 2 -0.059739 3 0.136032 4 -0.008325 5 0.006233 6 0.013356 7 -0.030612 8 -0.037858 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.55D+01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-3.40353E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.68215E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.45747E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.92257E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.82567E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.21063E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96396E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62493E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0027176 0.0090966 0.9993442 c 9.39D-01 9p1 367.9040728 0.00213342665.0731557** 2.94D+00 < 2s|9s1>=-3.5D-03 < 1s|9s1>=-1.3D-02 9s1 0.7373987 0.2718077 1.0000450** 9.24D-03 9d1 0.7368512 0.0153717 1.0000419** 1.44D-04 <2ph|9p2>=-5.2D-04 9p2 0.8755770 0.3443144 0.9995090** 1.76D-03 < 2s|9s2>=-7.9D-02 <3sh|9s2>= 2.1D-04 < 1s|9s2>=-2.1D-01 9s2 0.8784883 -0.5573336 1.0239270** 1.57D-01 <3dh|9d2>= 7.6D-04 9d2 0.8769115 0.0231066 1.0000395** 3.64D-04 <2ph|9p3>= 1.6D-03 9p3 0.8755944 -0.0802877 1.0000055** 6.29D-04 9f1 0.8754212 0.0025875 1.0000290** 9.21D-05 < 2s|9s1>=-2.8D-08 < 1s|9s1>=-2.1D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 0.001065 2 -0.059744 3 0.135989 4 -0.008319 5 0.006236 6 0.013359 7 -0.030599 8 -0.037840 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.39D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-3.40314E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.67807E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46056E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.79467E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.81892E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.20974E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96268E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62464E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001649 0.0091022 1.0006203 c 1.55D+01 9p1 5571.0347169 0.0000000************** 2.95D+00 < 2s|9s1>= 1.6D-03 < 1s|9s1>= 1.1D-02 9s1 0.7371313 0.3148011 1.0001640** 6.84D-03 9d1 0.7374225 0.0153658 0.9999590** 1.44D-04 <2ph|9p2>=-2.2D-04 9p2 0.8755410 0.3426448 1.0004875** 1.88D-03 < 2s|9s2>= 8.0D-02 <3sh|9s2>= 8.8D-04 < 1s|9s2>= 2.2D-01 9s2 0.8764650 0.3298608 1.0291659** 1.66D-01 <3dh|9d2>=-1.2D-03 9d2 0.8764480 0.0229873 0.9999732** 4.98D-04 <2ph|9p3>=-1.8D-03 9p3 0.8763378 -0.0810269 1.0000003** 7.47D-04 9f1 0.8764856 0.0025884 0.9999714** 9.15D-05 < 2s|9s1>= 1.7D-08 < 1s|9s1>= 1.3D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.8D-08 < 1s|9s2>=-1.4D-07 1 -0.000006 2 -0.059739 3 0.136032 4 -0.008325 5 0.006233 6 0.013356 7 -0.030612 8 -0.037858 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.55D+01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-3.40356E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.68214E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.45752E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.92258E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.82569E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.21063E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96396E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62493E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0027178 0.0090964 0.9993593 c 9.39D-01 9p1 361.3001770 -0.00213222736.7794211** 2.95D+00 < 2s|9s1>=-3.5D-03 < 1s|9s1>=-1.3D-02 9s1 0.7373989 0.2718049 1.0000454** 9.25D-03 9d1 0.7368510 0.0153716 1.0000417** 1.44D-04 <2ph|9p2>=-5.1D-04 9p2 0.8755764 0.3443167 0.9995162** 1.74D-03 < 2s|9s2>=-7.9D-02 <3sh|9s2>= 2.0D-04 < 1s|9s2>=-2.1D-01 9s2 0.8784898 -0.5573201 1.0239251** 1.57D-01 <3dh|9d2>= 7.6D-04 9d2 0.8769101 0.0231061 1.0000396** 3.64D-04 <2ph|9p3>= 1.6D-03 9p3 0.8755948 -0.0802871 1.0000055** 6.30D-04 9f1 0.8754211 0.0025875 1.0000289** 9.17D-05 < 2s|9s1>=-2.8D-08 < 1s|9s1>=-2.1D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.001065 2 -0.059744 3 0.135988 4 -0.008319 5 0.006236 6 0.013359 7 -0.030599 8 -0.037840 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.39D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-3.40315E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.67805E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46058E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.79472E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.81889E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.20974E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96269E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62463E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001649 0.0091021 1.0006306 c 1.55D+01 9p1 5571.0369432 0.0000000************** 3.04D+00 < 2s|9s1>= 6.1D-03 < 1s|9s1>= 1.7D-02 9s1 0.7373967 0.3325128 1.0001374** 1.31D-02 9d1 0.7374250 0.0154220 0.9999571** 1.44D-04 <2ph|9p2>= 2.7D-03 9p2 0.8783220 0.3496336 0.9987471** 4.98D-03 < 2s|9s2>= 2.8D-02 <3sh|9s2>=-2.8D-04 < 1s|9s2>= 1.2D-01 9s2 0.8769447 0.1012812 1.0085502** 8.32D-02 <3dh|9d2>=-1.2D-03 9d2 0.8765159 0.0234366 0.9999548** 5.27D-04 <2ph|9p3>=-1.8D-03 9p3 0.8763697 -0.0810880 0.9999963** 7.44D-04 9f1 0.8764954 0.0025910 0.9999718** 8.98D-05 < 2s|9s1>= 3.2D-08 < 1s|9s1>= 2.4D-08 < 2s|9s2>=-2.8D-07 <3sh|9s2>=-5.8D-08 < 1s|9s2>=-2.1D-07 1 -0.000004 2 -0.059738 3 0.136032 4 -0.008310 5 0.006232 6 0.013357 7 -0.030613 8 -0.037858 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.55D+01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-3.40391E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.68221E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46677E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.92131E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.83071E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.21085E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96402E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62476E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0027211 0.0090972 0.9994583 c 9.39D-01 9p1 859.2145703 -0.00218491760.8260697** 3.04D+00 < 2s|9s1>=-3.6D-03 < 1s|9s1>=-1.3D-02 9s1 0.7374025 0.2710122 1.0000586** 9.59D-03 9d1 0.7368434 0.0153697 1.0000450** 1.45D-04 <2ph|9p2>=-1.6D-04 9p2 0.8755452 0.3443635 1.0013219** 4.44D-03 < 2s|9s2>=-8.0D-02 <3sh|9s2>=-5.2D-04 < 1s|9s2>=-2.1D-01 9s2 0.8786154 -0.5597566 1.0242115** 1.59D-01 <3dh|9d2>= 8.2D-04 9d2 0.8768840 0.0231051 1.0000581** 3.92D-04 <2ph|9p3>= 1.6D-03 9p3 0.8755654 -0.0802736 1.0000100** 6.38D-04 9f1 0.8754033 0.0025874 1.0000292** 9.24D-05 < 2s|9s1>=-2.9D-08 < 1s|9s1>=-2.1D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.001064 2 -0.059745 3 0.135987 4 -0.008319 5 0.006236 6 0.013359 7 -0.030599 8 -0.037840 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.39D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-3.40316E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.67792E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46066E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.79496E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.81861E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.20973E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96270E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62460E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001656 0.0091028 1.0006163 c 1.54D+01 9p1 5574.8074341 0.0000000************** 3.70D+00 < 2s|9s1>= 3.1D-04 < 1s|9s1>= 9.0D-03 9s1 0.7370357 0.3101075 1.0001964** 5.22D-03 9d1 0.7374327 0.0153494 0.9999574** 1.45D-04 <2ph|9p2>=-1.3D-03 9p2 0.8746700 0.3405266 1.0010552** 4.05D-03 < 2s|9s2>= 9.8D-02 <3sh|9s2>= 1.3D-03 < 1s|9s2>= 2.5D-01 9s2 0.8762919 0.4087862 1.0395861** 1.95D-01 <3dh|9d2>=-1.2D-03 9d2 0.8764382 0.0228524 0.9999788** 4.86D-04 <2ph|9p3>=-1.9D-03 9p3 0.8763306 -0.0810166 1.0000013** 7.68D-04 9f1 0.8764952 0.0025877 0.9999701** 9.71D-05 < 2s|9s1>= 1.3D-08 < 1s|9s1>= 9.6D-09 < 2s|9s2>=-1.8D-07 <3sh|9s2>=-3.7D-08 < 1s|9s2>=-1.4D-07 1 0.000004 2 -0.059739 3 0.136032 4 -0.008329 5 0.006234 6 0.013356 7 -0.030611 8 -0.037858 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.54D+01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-3.40338E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.68214E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.45469E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.92293E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.82410E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.21056E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96394E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62498E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0027164 0.0090964 0.9993015 c 9.39D-01 9p1 900.8673302 0.00218411859.4323849** 3.69D+00 < 2s|9s1>=-3.5D-03 < 1s|9s1>=-1.3D-02 9s1 0.7373980 0.2720542 1.0000409** 9.14D-03 9d1 0.7368539 0.0153723 1.0000409** 1.44D-04 <2ph|9p2>=-6.4D-04 9p2 0.8755923 0.3442986 0.9989626** 3.65D-03 < 2s|9s2>=-7.9D-02 <3sh|9s2>= 4.5D-04 < 1s|9s2>=-2.1D-01 9s2 0.8784446 -0.5564430 1.0238241** 1.57D-01 <3dh|9d2>= 7.3D-04 9d2 0.8769209 0.0231072 1.0000336** 3.55D-04 <2ph|9p3>= 1.6D-03 9p3 0.8756040 -0.0802925 1.0000041** 6.26D-04 9f1 0.8754275 0.0025875 1.0000289** 9.20D-05 < 2s|9s1>=-2.7D-08 < 1s|9s1>=-2.0D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 0.001064 2 -0.059744 3 0.135989 4 -0.008319 5 0.006236 6 0.013359 7 -0.030599 8 -0.037840 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.39D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-3.40314E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.67813E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46053E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.79464E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.81902E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.20975E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96268E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62465E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001666 0.0091020 1.0006176 c 1.53D+01 9p1 5575.1859832 0.0000000************** 2.95D+00 < 2s|9s1>= 4.2D-03 < 1s|9s1>= 1.4D-02 9s1 0.7372908 0.3248611 1.0001357** 1.04D-02 9d1 0.7374198 0.0153993 0.9999587** 1.44D-04 <2ph|9p2>= 1.6D-03 9p2 0.8771976 0.3468205 0.9994414** 2.37D-03 < 2s|9s2>= 4.9D-02 <3sh|9s2>= 1.8D-04 < 1s|9s2>= 1.6D-01 9s2 0.8767548 0.1926645 1.0151869** 1.16D-01 <3dh|9d2>=-1.2D-03 9d2 0.8764839 0.0232554 0.9999626** 5.15D-04 <2ph|9p3>=-1.8D-03 9p3 0.8763552 -0.0810592 0.9999980** 7.37D-04 9f1 0.8764862 0.0025899 0.9999720** 8.93D-05 < 2s|9s1>= 2.6D-08 < 1s|9s1>= 1.9D-08 < 2s|9s2>=-2.2D-07 <3sh|9s2>=-4.4D-08 < 1s|9s2>=-1.6D-07 1 0.000006 2 -0.059738 3 0.136032 4 -0.008316 5 0.006233 6 0.013357 7 -0.030612 8 -0.037858 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.53D+01 *** CALCULATIONS FOR k^2 = 0.0120 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 0.000006 2 -0.059660 3 0.135870 4 -0.008312 5 0.006224 6 0.013343 7 -0.030584 8 -0.037831 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-3.40908E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.68976E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.46516E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.91810E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.84727E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.21235E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.96632E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.62817E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 75points in CSOLVE. End of range: 148.41315910258 au. kpc -0.0019609 0.0085881 0.9435296 c 9.15D-01 9p1 342.0028067 0.00199082978.8778937** 2.95D+00 < 2s|9s1>=-2.0D-01 < 1s|9s1>=-7.3D-01 9s1 0.7357732 -1.2129108 1.5406782** 5.53D-01 9d1 0.7105540 0.0147261 1.0039718** 9.81D-03 <2ph|9p2>=-1.0D-01 9p2 0.8378169 0.3123768 1.0078339** 4.55D-02 < 2s|9s2>=-3.4D-01 <3sh|9s2>=-1.1D-03 < 1s|9s2>=-9.4D-01 9s2 0.9332445 -1.9239481 18.2980612** 6.78D-01 <3dh|9d2>= 8.0D-02 9d2 0.8833741 0.0216203 1.0103373** 3.23D-02 <2ph|9p3>= 1.6D-01 9p3 0.8441729 -0.0443466 1.0126990** 6.38D-02 9f1 0.8304602 0.0025002 1.0021861** 5.74D-03 < 2s|9s1>= 4.1D-07 < 1s|9s1>= 3.0D-07 < 2s|9s2>= 1.2D-06 <3sh|9s2>= 2.5D-07 < 1s|9s2>= 9.2D-07 1 0.001033 2 -0.059605 3 0.132034 4 -0.008126 5 0.005312 6 0.013554 7 -0.029681 8 -0.036435 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.15D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-3.30228E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.41458E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48473E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.68701E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.12752E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.38521E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.87493E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58987E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0011195 0.0085415 0.9945844 c 2.75D+00 9p1 5984.0461339 0.0000000************** 2.91D+00 < 2s|9s1>=-3.8D-03 < 1s|9s1>=-2.0D-02 9s1 0.7381226 0.2547206 1.0009525** 1.92D-02 9d1 0.7377763 0.0149323 0.9995206** 1.72D-03 <2ph|9p2>= 1.1D-02 9p2 0.8749250 0.3440097 0.9987915** 8.90D-03 < 2s|9s2>= 1.6D-01 <3sh|9s2>= 5.9D-03 < 1s|9s2>= 2.4D-01 9s2 0.8717582 0.5039708 1.3114443** 3.42D-01 <3dh|9d2>=-4.2D-03 9d2 0.8740694 0.0210623 0.9996596** 3.38D-03 <2ph|9p3>= 3.3D-03 9p3 0.8782863 -0.0786757 0.9995446** 3.78D-03 9f1 0.8768591 0.0025463 0.9994789** 2.02D-03 < 2s|9s1>=-4.2D-08 < 1s|9s1>=-3.1D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.2D-08 < 1s|9s2>=-1.5D-07 1 -0.000005 2 -0.059667 3 0.131956 4 -0.008147 5 0.006608 6 0.013519 7 -0.029720 8 -0.036425 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.75D+00 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-3.28096E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.40378E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47719E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.61717E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.14747E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11365E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88354E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58348E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014455 0.0085287 0.9985003 c 1.77D+00 9p1 365.2077678 -0.00198773742.5719214** 2.91D+00 < 2s|9s1>=-4.3D-03 < 1s|9s1>=-1.7D-02 9s1 0.7379968 0.2551286 1.0001806** 1.26D-02 9d1 0.7376404 0.0149287 1.0000304** 1.79D-04 <2ph|9p2>=-7.4D-05 9p2 0.8762566 0.3371276 1.0010517** 5.55D-03 < 2s|9s2>=-1.1D-01 <3sh|9s2>=-1.5D-03 < 1s|9s2>=-2.8D-01 9s2 0.8779503 -0.7195020 1.0476336** 2.14D-01 <3dh|9d2>= 9.3D-04 9d2 0.8767598 0.0211250 0.9999726** 6.93D-04 <2ph|9p3>= 2.1D-03 9p3 0.8764507 -0.0787073 0.9999976** 8.64D-04 9f1 0.8762862 0.0025432 1.0000153** 7.01D-05 < 2s|9s1>=-3.6D-08 < 1s|9s1>=-2.7D-08 < 2s|9s2>=-9.7D-08 <3sh|9s2>=-2.0D-08 < 1s|9s2>=-7.2D-08 1 -0.000872 2 -0.059673 3 0.131897 4 -0.008150 5 0.006614 6 0.013515 7 -0.029704 8 -0.036405 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.77D+00 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-3.27678E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39864E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47469E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.49832E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12242E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11217E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88297E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58335E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0009469 0.0085338 1.0005972 c 2.53D+00 9p1 7091.3813235 0.0000000************** 2.95D+00 < 2s|9s1>= 4.8D-03 < 1s|9s1>= 1.6D-02 9s1 0.7381860 0.3190900 1.0001825** 1.19D-02 9d1 0.7384389 0.0149564 0.9999623** 1.19D-04 <2ph|9p2>= 2.8D-03 9p2 0.8783214 0.3397173 0.9994941** 2.42D-03 < 2s|9s2>= 1.3D-01 <3sh|9s2>= 2.7D-04 < 1s|9s2>= 3.4D-01 9s2 0.8764667 0.5890951 1.0773909** 2.62D-01 <3dh|9d2>=-1.6D-03 9d2 0.8770199 0.0212588 0.9999711** 6.18D-04 <2ph|9p3>=-2.4D-03 9p3 0.8775361 -0.0797230 1.0000023** 9.93D-04 9f1 0.8776684 0.0025461 0.9999715** 9.17D-05 < 2s|9s1>= 2.9D-08 < 1s|9s1>= 2.2D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.8D-08 < 1s|9s2>=-1.4D-07 1 -0.000006 2 -0.059682 3 0.131960 4 -0.008150 5 0.006613 6 0.013516 7 -0.029721 8 -0.036427 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.53D+00 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-3.27736E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.40187E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47687E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.60887E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.13253E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11300E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88405E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58346E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014483 0.0085267 0.9991612 c 1.65D+00 9p1 414.2214505 -0.00198822544.8629436** 2.95D+00 < 2s|9s1>=-4.3D-03 < 1s|9s1>=-1.6D-02 9s1 0.7379066 0.2565738 1.0000769** 1.13D-02 9d1 0.7375839 0.0149280 1.0000416** 1.22D-04 <2ph|9p2>=-1.9D-03 9p2 0.8762342 0.3368273 1.0005120** 2.21D-03 < 2s|9s2>=-1.5D-01 <3sh|9s2>=-3.0D-04 < 1s|9s2>=-3.8D-01 9s2 0.8775182 -0.9222286 1.0942259** 2.91D-01 <3dh|9d2>= 1.3D-03 9d2 0.8769191 0.0211325 1.0000394** 5.49D-04 <2ph|9p3>= 2.3D-03 9p3 0.8763458 -0.0786517 1.0000065** 9.37D-04 9f1 0.8761752 0.0025432 1.0000317** 1.05D-04 < 2s|9s1>=-3.5D-08 < 1s|9s1>=-2.6D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.000873 2 -0.059673 3 0.131894 4 -0.008150 5 0.006614 6 0.013515 7 -0.029703 8 -0.036404 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.65D+00 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-3.27664E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39847E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47486E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.49237E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12281E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11224E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88292E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58329E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0009476 0.0085324 1.0006673 c 2.53D+00 9p1 7080.4072973 0.0000000************** 4.24D+00 < 2s|9s1>= 5.2D-03 < 1s|9s1>= 1.7D-02 9s1 0.7382007 0.3210942 1.0001983** 1.26D-02 9d1 0.7384532 0.0149634 0.9999592** 1.21D-04 <2ph|9p2>= 3.0D-03 9p2 0.8785867 0.3406569 0.9993395** 3.02D-03 < 2s|9s2>= 1.3D-01 <3sh|9s2>= 2.0D-04 < 1s|9s2>= 3.5D-01 9s2 0.8764988 0.5984886 1.0797552** 2.64D-01 <3dh|9d2>=-1.6D-03 9d2 0.8770060 0.0213113 0.9999707** 6.53D-04 <2ph|9p3>=-2.5D-03 9p3 0.8775531 -0.0797427 1.0000010** 1.02D-03 9f1 0.8776957 0.0025464 0.9999686** 1.05D-04 < 2s|9s1>= 3.1D-08 < 1s|9s1>= 2.3D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.8D-08 < 1s|9s2>=-1.4D-07 1 -0.000001 2 -0.059681 3 0.131960 4 -0.008148 5 0.006613 6 0.013516 7 -0.029721 8 -0.036427 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.53D+00 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-3.27749E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.40181E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47786E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.61000E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.13308E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11303E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88407E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58343E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014487 0.0085260 0.9992526 c 1.65D+00 9p1 1411.7733640 -0.0000365************** 4.29D+00 < 2s|9s1>=-4.3D-03 < 1s|9s1>=-1.6D-02 9s1 0.7379088 0.2565337 1.0000788** 1.13D-02 9d1 0.7375844 0.0149272 1.0000421** 1.22D-04 <2ph|9p2>=-1.8D-03 9p2 0.8762384 0.3368293 1.0006908** 2.81D-03 < 2s|9s2>=-1.5D-01 <3sh|9s2>=-3.6D-04 < 1s|9s2>=-3.8D-01 9s2 0.8775336 -0.9208741 1.0937983** 2.90D-01 <3dh|9d2>= 1.3D-03 9d2 0.8769169 0.0211298 1.0000412** 5.52D-04 <2ph|9p3>= 2.3D-03 9p3 0.8763454 -0.0786499 1.0000071** 9.33D-04 9f1 0.8761761 0.0025431 1.0000320** 1.06D-04 < 2s|9s1>=-3.5D-08 < 1s|9s1>=-2.6D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 0.000008 2 -0.059675 3 0.131900 4 -0.008151 5 0.006616 6 0.013517 7 -0.029707 8 -0.036407 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.65D+00 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-3.27576E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39841E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47454E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.57641E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12141E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11195E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88293E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58303E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014573 0.0085251 0.9998960 c 5.90D-03 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0004426************** 2.96D+00 < 2s|9s1>=-4.8D-05 < 1s|9s1>=-3.1D-04 9s1 0.7379902 0.2863701 1.0000019** 2.36D-04 9d1 0.7379865 0.0149320 0.9999929** 2.85D-05 <2ph|9p2>=-3.3D-05 9p2 0.8768493 0.3374470 0.9999431** 2.25D-04 < 2s|9s2>=-1.9D-03 <3sh|9s2>= 1.5D-04 < 1s|9s2>=-1.2D-02 9s2 0.8768852 -0.1535013 1.0001826** 1.38D-02 <3dh|9d2>=-1.3D-05 9d2 0.8768607 0.0211311 0.9999874** 9.47D-05 <2ph|9p3>= 8.8D-05 9p3 0.8768901 -0.0791356 0.9999907** 7.72D-05 9f1 0.8768721 0.0025440 0.9999917** 3.10D-05 < 2s|9s1>=-5.3D-10 < 1s|9s1>=-3.9D-10 < 2s|9s2>=-1.8D-08 <3sh|9s2>=-3.6D-09 < 1s|9s2>=-1.3D-08 1 0.000255 2 -0.059674 3 0.131897 4 -0.008150 5 0.006617 6 0.013517 7 -0.029707 8 -0.036406 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.90D-03 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-3.27582E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39841E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47482E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.58924E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12205E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11180E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88298E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58299E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0013042 0.0085251 0.9999987 c 1.17D-01 9p1 6866.0153658 0.0000000************** 1.55D+00 < 2s|9s1>=-1.9D-04 < 1s|9s1>= 1.9D-04 9s1 0.7379933 0.2867810 1.0000122** 1.14D-04 9d1 0.7380304 0.0149317 0.9999965** 3.78D-05 <2ph|9p2>= 8.6D-05 9p2 0.8768383 0.3373161 1.0000433** 1.68D-04 < 2s|9s2>=-3.9D-03 <3sh|9s2>=-9.4D-07 < 1s|9s2>=-1.8D-03 9s2 0.8767867 -0.1416550 0.9999672** 3.06D-03 <3dh|9d2>=-2.3D-04 9d2 0.8768135 0.0211290 1.0000009** 1.88D-04 <2ph|9p3>=-1.9D-04 9p3 0.8769710 -0.0791582 1.0000005** 9.83D-05 9f1 0.8769731 0.0025439 0.9999952** 5.76D-05 < 2s|9s2>=-9.3D-09 <3sh|9s2>=-1.9D-09 < 1s|9s2>=-6.9D-09 1 -0.000155 2 -0.059673 3 0.131897 4 -0.008151 5 0.006617 6 0.013517 7 -0.029706 8 -0.036405 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.17D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-3.27595E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39852E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47434E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.59379E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12250E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11184E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88290E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58306E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014006 0.0085267 1.0001894 c 6.89D-02 9p1 1202.5996868 -0.0019051 35.4735908** 1.50D+00 < 2s|9s1>= 9.8D-04 < 1s|9s1>= 3.6D-03 9s1 0.7380279 0.2937757 1.0000252** 2.58D-03 9d1 0.7380965 0.0149352 0.9999945** 2.17D-05 <2ph|9p2>= 4.5D-04 9p2 0.8770038 0.3376037 0.9999427** 2.80D-04 < 2s|9s2>= 2.8D-02 <3sh|9s2>=-9.1D-05 < 1s|9s2>= 7.5D-02 9s2 0.8768605 0.0240104 1.0037259** 5.78D-02 <3dh|9d2>=-2.7D-04 9d2 0.8768826 0.0211405 1.0000024** 1.13D-04 <2ph|9p3>=-5.7D-04 9p3 0.8769940 -0.0792907 1.0000023** 2.52D-04 9f1 0.8770548 0.0025444 0.9999976** 3.71D-05 < 2s|9s1>= 6.9D-09 < 1s|9s1>= 5.1D-09 < 2s|9s2>=-9.3D-07 <3sh|9s2>=-1.9D-07 < 1s|9s2>=-6.9D-07 1 -0.000038 2 -0.059676 3 0.131912 4 -0.008151 5 0.006617 6 0.013517 7 -0.029709 8 -0.036410 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.89D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-3.27611E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39924E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47473E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.59420E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12192E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11184E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88315E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58318E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0013485 0.0085252 0.9998272 c 3.87D-02 9p1 157595.0635046 0.0000000************** 1.88D+00 < 2s|9s1>=-8.4D-04 < 1s|9s1>=-3.1D-03 9s1 0.7379953 0.2809098 0.9999918** 2.19D-03 9d1 0.7379256 0.0149317 1.0000088** 2.76D-05 <2ph|9p2>=-1.2D-04 9p2 0.8768274 0.3373478 1.0000322** 1.39D-04 < 2s|9s2>=-2.3D-02 <3sh|9s2>=-4.1D-06 < 1s|9s2>=-5.8D-02 9s2 0.8768521 -0.2548337 1.0015965** 4.45D-02 <3dh|9d2>= 1.6D-04 9d2 0.8768861 0.0211327 1.0000051** 8.07D-05 <2ph|9p3>= 4.0D-04 9p3 0.8768221 -0.0790702 1.0000020** 1.55D-04 9f1 0.8767726 0.0025438 1.0000076** 2.88D-05 < 2s|9s1>=-6.1D-09 < 1s|9s1>=-4.6D-09 < 2s|9s2>=-6.4D-08 <3sh|9s2>=-1.3D-08 < 1s|9s2>=-4.8D-08 1 -0.000005 2 -0.059675 3 0.131902 4 -0.008150 5 0.006617 6 0.013517 7 -0.029708 8 -0.036407 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.87D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-3.27582E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39854E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47472E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.59203E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12174E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11182E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88304E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58301E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014490 0.0085248 0.9999487 c 6.94D-02 9p1 6729.3436207 0.0000000************** 3.55D-01 < 2s|9s1>=-2.2D-04 < 1s|9s1>=-8.5D-04 9s1 0.7379958 0.2851819 0.9999981** 6.12D-04 9d1 0.7379779 0.0149314 1.0000005** 4.71D-06 <2ph|9p2>=-6.0D-05 9p2 0.8768503 0.3373465 1.0000054** 4.21D-05 < 2s|9s2>=-7.3D-03 <3sh|9s2>= 7.1D-06 < 1s|9s2>=-2.0D-02 9s2 0.8769133 -0.1742059 1.0001072** 1.59D-02 <3dh|9d2>= 5.0D-05 9d2 0.8768811 0.0211282 0.9999996** 2.04D-05 <2ph|9p3>= 1.3D-04 9p3 0.8768671 -0.0791247 0.9999985** 5.91D-05 9f1 0.8768531 0.0025439 0.9999998** 1.97D-06 < 2s|9s1>=-1.7D-09 < 1s|9s1>=-1.2D-09 < 2s|9s2>=-3.2D-08 <3sh|9s2>=-6.5D-09 < 1s|9s2>=-2.4D-08 1 -0.000006 2 -0.059675 3 0.131898 4 -0.008150 5 0.006617 6 0.013517 7 -0.029707 8 -0.036406 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.94D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-3.27572E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39835E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47472E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.59389E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12151E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11177E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88300E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58297E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014475 0.0085247 0.9999940 c 1.05D-03 9p1 390.5862740 -0.00198222465.0306740** 2.96D+00 < 2s|9s1>=-1.1D-06 < 1s|9s1>=-4.0D-06 9s1 0.7379994 0.2867698 1.0000009** 1.22D-05 9d1 0.7380003 0.0149315 0.9999996** 1.29D-06 <2ph|9p2>= 6.7D-06 9p2 0.8768802 0.3373403 1.0000053** 1.82D-05 < 2s|9s2>= 8.0D-04 <3sh|9s2>=-3.2D-06 < 1s|9s2>= 1.6D-03 9s2 0.8768849 -0.1297042 1.0000120** 1.24D-03 <3dh|9d2>=-3.5D-06 9d2 0.8768845 0.0211269 0.9999997** 2.61D-06 <2ph|9p3>=-1.4D-06 9p3 0.8768900 -0.0791520 0.9999997** 2.66D-06 9f1 0.8768898 0.0025439 0.9999995** 1.88D-06 < 2s|9s2>= 3.9D-09 <3sh|9s2>= 7.8D-10 < 1s|9s2>= 2.9D-09 1 -0.000868 2 -0.059673 3 0.131892 4 -0.008150 5 0.006615 6 0.013515 7 -0.029704 8 -0.036403 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.05D-03 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-3.27658E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39829E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47509E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.51180E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12343E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11214E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88302E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58321E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0009431 0.0085316 1.0008081 c 2.53D+00 9p1 7123.8796717 0.0000000************** 2.95D+00 < 2s|9s1>= 4.9D-03 < 1s|9s1>= 1.7D-02 9s1 0.7381892 0.3204360 1.0002035** 1.25D-02 9d1 0.7384672 0.0149547 0.9999660** 1.19D-04 <2ph|9p2>= 2.8D-03 9p2 0.8783551 0.3396112 0.9995612** 2.22D-03 < 2s|9s2>= 1.3D-01 <3sh|9s2>= 1.4D-04 < 1s|9s2>= 3.6D-01 9s2 0.8764771 0.6257206 1.0865881** 2.79D-01 <3dh|9d2>=-1.6D-03 9d2 0.8770330 0.0212493 0.9999836** 6.01D-04 <2ph|9p3>=-2.6D-03 9p3 0.8775460 -0.0797535 1.0000108** 1.09D-03 9f1 0.8777110 0.0025459 0.9999766** 7.48D-05 < 2s|9s1>= 3.0D-08 < 1s|9s1>= 2.3D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.8D-08 < 1s|9s2>=-1.4D-07 1 -0.000006 2 -0.059682 3 0.131960 4 -0.008150 5 0.006613 6 0.013516 7 -0.029722 8 -0.036427 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.53D+00 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-3.27737E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.40167E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47689E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.61024E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.13218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11300E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88409E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58342E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014484 0.0085256 0.9992908 c 1.65D+00 9p1 413.9075227 -0.00198822574.5132520** 2.95D+00 < 2s|9s1>=-4.2D-03 < 1s|9s1>=-1.6D-02 9s1 0.7379021 0.2569344 1.0000721** 1.11D-02 9d1 0.7375835 0.0149274 1.0000417** 1.22D-04 <2ph|9p2>=-1.9D-03 9p2 0.8762382 0.3368085 1.0004851** 2.13D-03 < 2s|9s2>=-1.5D-01 <3sh|9s2>=-2.6D-04 < 1s|9s2>=-3.9D-01 9s2 0.8775061 -0.9308555 1.0966586** 2.94D-01 <3dh|9d2>= 1.3D-03 9d2 0.8769298 0.0211299 1.0000378** 5.52D-04 <2ph|9p3>= 2.3D-03 9p3 0.8763406 -0.0786488 1.0000064** 9.37D-04 9f1 0.8761717 0.0025431 1.0000322** 1.07D-04 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.000873 2 -0.059673 3 0.131893 4 -0.008150 5 0.006614 6 0.013515 7 -0.029703 8 -0.036404 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.65D+00 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-3.27665E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39835E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47494E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.49235E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12266E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11224E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88293E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58326E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0009475 0.0085318 1.0007304 c 2.53D+00 9p1 7080.1145989 0.0000000************** 4.17D+00 < 2s|9s1>= 2.6D-03 < 1s|9s1>= 1.4D-02 9s1 0.7380475 0.3109089 1.0002069** 9.00D-03 9d1 0.7384545 0.0149205 0.9999600** 1.21D-04 <2ph|9p2>= 1.3D-03 9p2 0.8767975 0.3355191 1.0004825** 1.66D-03 < 2s|9s2>= 1.5D-01 <3sh|9s2>= 8.0D-04 < 1s|9s2>= 3.9D-01 9s2 0.8762379 0.7085759 1.1060089** 3.04D-01 <3dh|9d2>=-1.6D-03 9d2 0.8769736 0.0209913 0.9999794** 6.38D-04 <2ph|9p3>=-2.5D-03 9p3 0.8775343 -0.0797082 1.0000034** 1.02D-03 9f1 0.8776938 0.0025444 0.9999680** 1.08D-04 < 2s|9s1>= 2.2D-08 < 1s|9s1>= 1.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.8D-08 < 1s|9s2>=-1.4D-07 1 0.000001 2 -0.059682 3 0.131959 4 -0.008157 5 0.006613 6 0.013516 7 -0.029721 8 -0.036427 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.53D+00 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-3.27724E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.40170E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47189E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.61070E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.13033E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11293E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88403E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58352E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014469 0.0085251 0.9992123 c 1.65D+00 9p1 1844.9264140 0.0000000************** 4.17D+00 < 2s|9s1>=-4.2D-03 < 1s|9s1>=-1.5D-02 9s1 0.7379056 0.2573103 1.0000678** 1.10D-02 9d1 0.7375917 0.0149284 1.0000395** 1.21D-04 <2ph|9p2>=-2.0D-03 9p2 0.8762652 0.3368008 0.9995221** 1.52D-03 < 2s|9s2>=-1.5D-01 <3sh|9s2>= 3.3D-05 < 1s|9s2>=-3.8D-01 9s2 0.8774539 -0.9191379 1.0933455** 2.89D-01 <3dh|9d2>= 1.3D-03 9d2 0.8769349 0.0211298 1.0000314** 5.33D-04 <2ph|9p3>= 2.3D-03 9p3 0.8763644 -0.0786605 1.0000044** 9.23D-04 9f1 0.8761902 0.0025432 1.0000317** 1.05D-04 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.000008 2 -0.059675 3 0.131901 4 -0.008151 5 0.006616 6 0.013517 7 -0.029707 8 -0.036407 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.65D+00 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-3.27576E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39847E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47450E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.57635E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12155E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11196E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88292E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58304E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014574 0.0085244 0.9999249 c 7.18D-03 9p1 217.8733252 -0.00193963726.2731336** 2.96D+00 < 2s|9s1>=-1.6D-04 < 1s|9s1>=-6.9D-04 9s1 0.7379930 0.2856214 1.0000004** 5.07D-04 9d1 0.7379796 0.0149316 0.9999944** 2.36D-05 <2ph|9p2>=-8.2D-06 9p2 0.8768364 0.3374483 0.9999478** 2.38D-04 < 2s|9s2>=-2.4D-03 <3sh|9s2>= 1.3D-04 < 1s|9s2>=-1.3D-02 9s2 0.8768903 -0.1563331 1.0001937** 1.48D-02 <3dh|9d2>=-6.1D-06 9d2 0.8768529 0.0211296 0.9999877** 8.83D-05 <2ph|9p3>= 1.2D-04 9p3 0.8768871 -0.0791288 0.9999910** 8.92D-05 9f1 0.8768635 0.0025440 0.9999925** 2.81D-05 < 2s|9s1>=-1.3D-09 < 1s|9s1>=-9.7D-10 < 2s|9s2>=-2.0D-08 <3sh|9s2>=-4.0D-09 < 1s|9s2>=-1.5D-08 1 -0.000868 2 -0.059672 3 0.131891 4 -0.008149 5 0.006614 6 0.013515 7 -0.029703 8 -0.036403 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.18D-03 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-3.27667E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.39832E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47517E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.51150E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.12369E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11213E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88299E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58321E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0009429 0.0085314 1.0008113 c 2.55D+00 9p1 7123.5367724 0.0000000************** 3.76D+00 < 2s|9s1>= 4.4D-03 < 1s|9s1>= 1.6D-02 9s1 0.7381606 0.3183849 1.0002092** 1.17D-02 9d1 0.7384729 0.0149528 0.9999655** 1.20D-04 <2ph|9p2>= 2.5D-03 9p2 0.8781100 0.3393505 0.9997472** 1.62D-03 < 2s|9s2>= 1.4D-01 <3sh|9s2>= 2.4D-04 < 1s|9s2>= 3.8D-01 9s2 0.8764238 0.6633157 1.0957972** 2.92D-01 <3dh|9d2>=-1.6D-03 9d2 0.8770157 0.0212296 0.9999875** 6.04D-04 <2ph|9p3>=-2.6D-03 9p3 0.8775525 -0.0797517 1.0000117** 1.10D-03 9f1 0.8777217 0.0025459 0.9999760** 7.76D-05 < 2s|9s1>= 2.9D-08 < 1s|9s1>= 2.1D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.8D-08 < 1s|9s2>=-1.4D-07 1 0.000000 2 -0.059682 3 0.131959 4 -0.008151 5 0.006613 6 0.013516 7 -0.029721 8 -0.036427 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.55D+00 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-3.27739E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.40165E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47609E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.61121E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.13188E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11299E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88409E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58343E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0014480 0.0085254 0.9993073 c 1.65D+00 9p1 831.3563165 -0.0020252************** 3.76D+00 < 2s|9s1>=-4.2D-03 < 1s|9s1>=-1.6D-02 9s1 0.7379030 0.2569869 1.0000708** 1.11D-02 9d1 0.7375841 0.0149274 1.0000416** 1.22D-04 <2ph|9p2>=-2.0D-03 9p2 0.8762490 0.3368016 1.0003207** 1.68D-03 < 2s|9s2>=-1.5D-01 <3sh|9s2>=-1.9D-04 < 1s|9s2>=-3.9D-01 9s2 0.8774952 -0.9316610 1.0968649** 2.94D-01 <3dh|9d2>= 1.3D-03 9d2 0.8769333 0.0211293 1.0000357** 5.50D-04 <2ph|9p3>= 2.3D-03 9p3 0.8763440 -0.0786491 1.0000060** 9.36D-04 9f1 0.8761733 0.0025431 1.0000324** 1.08D-04 < 2s|9s1>=-3.4D-08 < 1s|9s1>=-2.5D-08 < 2s|9s2>=-9.4D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.0D-08 1 -0.000874 2 -0.059673 3 0.131893 4 -0.008150 5 0.006614 6 0.013515 7 -0.029703 8 -0.036404 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.65D+00 *** CALCULATIONS FOR k^2 = 0.0110 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.000875 2 -0.059595 3 0.131736 4 -0.008145 5 0.006605 6 0.013502 7 -0.029676 8 -0.036378 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-3.28172E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.40554E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.47721E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.48862E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 9.13956E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.11367E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.88520E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.58656E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 75points in CSOLVE. End of range: 148.41315910258 au. kpc 0.0015720 0.0080162 0.9402632 c 1.92D+00 9p1 6725.3363174 0.0000000************** 2.96D+00 < 2s|9s1>=-2.0D-01 < 1s|9s1>=-7.4D-01 9s1 0.7345291 -1.2301556 1.5553101** 5.56D-01 9d1 0.7098224 0.0142792 1.0041208** 1.01D-02 <2ph|9p2>=-1.3D-01 9p2 0.8346616 0.3003596 1.0096341** 5.59D-02 < 2s|9s2>=-3.4D-01 <3sh|9s2>=-1.0D-03 < 1s|9s2>=-9.4D-01 9s2 0.9281225 -1.9260558 20.1917256** 6.82D-01 <3dh|9d2>= 8.6D-02 9d2 0.8835067 0.0198625 1.0103910** 3.35D-02 <2ph|9p3>= 1.7D-01 9p3 0.8414662 -0.0403196 1.0145574** 6.82D-02 9f1 0.8278855 0.0024534 1.0022803** 5.81D-03 < 2s|9s1>= 3.9D-07 < 1s|9s1>= 2.9D-07 < 2s|9s2>= 1.5D-06 <3sh|9s2>= 2.9D-07 < 1s|9s2>= 1.1D-06 1 -0.000006 2 -0.059369 3 0.127749 4 -0.007913 5 0.005294 6 0.013698 7 -0.028701 8 -0.034929 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.92D+00 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-3.17448E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.14164E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50648E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.60119E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.10768E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.34976E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79273E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54826E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0004260 0.0079556 0.9924406 c 4.69D+00 9p1 386.4641336 -0.00184192688.0136857** 2.96D+00 < 2s|9s1>=-1.2D-02 < 1s|9s1>=-5.5D-02 9s1 0.7387413 0.1812261 1.0021075** 4.23D-02 9d1 0.7376558 0.0144721 0.9995776** 1.61D-03 <2ph|9p2>= 5.3D-03 9p2 0.8745757 0.3384218 0.9985446** 7.84D-03 < 2s|9s2>=-1.9D-01 <3sh|9s2>= 5.0D-03 < 1s|9s2>=-6.5D-01 9s2 0.8728739 -1.3586247 1.8014529** 6.94D-01 <3dh|9d2>=-6.7D-04 9d2 0.8749099 0.0192558 0.9996770** 2.67D-03 <2ph|9p3>= 9.7D-03 9p3 0.8778066 -0.0758420 0.9995150** 6.63D-03 9f1 0.8759397 0.0025000 0.9994820** 2.03D-03 < 2s|9s1>=-1.6D-07 < 1s|9s1>=-1.2D-07 < 2s|9s2>=-8.8D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.5D-08 1 -0.000721 2 -0.059392 3 0.127511 4 -0.007934 5 0.006971 6 0.013658 7 -0.028698 8 -0.034865 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.69D+00 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-3.15286E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12489E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49228E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.20886E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.49700E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02378E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79905E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54108E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0018694 0.0079551 0.9999393 c 1.23D+00 9p1 8649.8195588 0.0000000************** 4.06D+00 < 2s|9s1>= 1.7D-03 < 1s|9s1>= 1.0D-02 9s1 0.7390932 0.2943005 1.0002680** 6.46D-03 9d1 0.7394664 0.0144621 0.9999455** 1.94D-04 <2ph|9p2>= 3.2D-03 9p2 0.8775835 0.3291375 1.0022918** 7.21D-03 < 2s|9s2>= 1.8D-01 <3sh|9s2>=-7.1D-04 < 1s|9s2>= 4.6D-01 9s2 0.8776583 0.8488572 1.1521124** 3.54D-01 <3dh|9d2>=-1.8D-03 9d2 0.8776689 0.0190930 0.9999174** 1.23D-03 <2ph|9p3>=-2.6D-03 9p3 0.8786060 -0.0782547 0.9999846** 1.05D-03 9f1 0.8787598 0.0024995 0.9999450** 2.02D-04 < 2s|9s1>= 1.7D-08 < 1s|9s1>= 1.2D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.000003 2 -0.059415 3 0.127575 4 -0.007953 5 0.006975 6 0.013654 7 -0.028715 8 -0.034888 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.23D+00 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-3.14998E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12613E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48307E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.31906E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48787E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02387E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80080E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54153E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001293 0.0079499 0.9993531 c 1.55D+01 9p1 808.3278695 0.00192932250.6133792** 4.06D+00 < 2s|9s1>=-3.0D-03 < 1s|9s1>=-1.1D-02 9s1 0.7389807 0.2557360 1.0000187** 7.83D-03 9d1 0.7387200 0.0144717 1.0000342** 1.05D-04 <2ph|9p2>=-1.4D-03 9p2 0.8774611 0.3299633 0.9994503** 1.78D-03 < 2s|9s2>=-1.0D-01 <3sh|9s2>= 6.4D-05 < 1s|9s2>=-2.6D-01 9s2 0.8783685 -0.6749264 1.0402467** 1.97D-01 <3dh|9d2>= 8.8D-04 9d2 0.8780346 0.0192329 1.0000242** 4.07D-04 <2ph|9p3>= 1.7D-03 9p3 0.8775139 -0.0773418 1.0000070** 6.54D-04 9f1 0.8773789 0.0024985 1.0000293** 1.01D-04 < 2s|9s1>=-2.3D-08 < 1s|9s1>=-1.7D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.1D-08 1 0.000715 2 -0.059412 3 0.127531 4 -0.007946 5 0.006977 6 0.013655 7 -0.028703 8 -0.034871 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.55D+01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-3.14912E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12342E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48639E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.22096E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48049E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02316E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79985E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54127E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0018609 0.0079539 1.0004993 c 1.07D+00 9p1 8728.2650453 0.0000000************** 2.94D+00 < 2s|9s1>= 1.8D-03 < 1s|9s1>= 9.4D-03 9s1 0.7390021 0.2935123 1.0001190** 6.25D-03 9d1 0.7393068 0.0144695 0.9999698** 1.02D-04 <2ph|9p2>= 8.2D-04 9p2 0.8779124 0.3294748 1.0002754** 9.05D-04 < 2s|9s2>= 1.0D-01 <3sh|9s2>= 6.0D-04 < 1s|9s2>= 2.6D-01 9s2 0.8773526 0.4212894 1.0431275** 2.00D-01 <3dh|9d2>=-1.1D-03 9d2 0.8778817 0.0191618 0.9999840** 4.43D-04 <2ph|9p3>=-1.8D-03 9p3 0.8783519 -0.0780903 1.0000007** 7.19D-04 9f1 0.8784616 0.0024996 0.9999759** 7.95D-05 < 2s|9s1>= 1.6D-08 < 1s|9s1>= 1.2D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.000005 2 -0.059416 3 0.127574 4 -0.007951 5 0.006976 6 0.013654 7 -0.028715 8 -0.034887 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.07D+00 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-3.14973E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12604E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48451E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.30634E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48646E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02372E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80074E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54147E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001359 0.0079489 0.9993729 c 1.47D+01 9p1 480.8112291 -0.00190282483.8023091** 2.94D+00 < 2s|9s1>=-3.0D-03 < 1s|9s1>=-1.1D-02 9s1 0.7389738 0.2556514 1.0000243** 7.90D-03 9d1 0.7387202 0.0144711 1.0000314** 1.03D-04 <2ph|9p2>=-1.4D-03 9p2 0.8774418 0.3300378 0.9997101** 8.59D-04 < 2s|9s2>=-1.0D-01 <3sh|9s2>= 1.1D-05 < 1s|9s2>=-2.6D-01 9s2 0.8783919 -0.6697647 1.0394972** 1.98D-01 <3dh|9d2>= 8.7D-04 9d2 0.8780045 0.0192329 1.0000225** 3.66D-04 <2ph|9p3>= 1.6D-03 9p3 0.8775144 -0.0773435 1.0000036** 6.62D-04 9f1 0.8773848 0.0024985 1.0000245** 8.06D-05 < 2s|9s1>=-2.3D-08 < 1s|9s1>=-1.7D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.2D-08 1 -0.000715 2 -0.059412 3 0.127530 4 -0.007946 5 0.006977 6 0.013655 7 -0.028703 8 -0.034871 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.47D+01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-3.14921E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12338E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48647E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.22144E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48059E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02315E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79983E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54126E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0018621 0.0079533 1.0005497 c 1.07D+00 9p1 8722.5040024 0.0000000************** 2.96D+00 < 2s|9s1>= 1.7D-03 < 1s|9s1>= 9.3D-03 9s1 0.7389983 0.2931923 1.0001239** 6.12D-03 9d1 0.7393114 0.0144674 0.9999694** 1.03D-04 <2ph|9p2>= 8.0D-04 9p2 0.8778402 0.3292798 1.0003426** 1.15D-03 < 2s|9s2>= 1.0D-01 <3sh|9s2>= 6.0D-04 < 1s|9s2>= 2.7D-01 9s2 0.8773446 0.4377283 1.0457859** 2.06D-01 <3dh|9d2>=-1.1D-03 9d2 0.8778757 0.0191475 0.9999859** 4.44D-04 <2ph|9p3>=-1.8D-03 9p3 0.8783584 -0.0780929 1.0000012** 7.30D-04 9f1 0.8784704 0.0024995 0.9999757** 8.05D-05 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.2D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.000006 2 -0.059416 3 0.127573 4 -0.007951 5 0.006976 6 0.013654 7 -0.028715 8 -0.034887 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.07D+00 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-3.14974E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12598E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48428E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.30678E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48631E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02372E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80075E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54146E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001358 0.0079486 0.9994060 c 1.47D+01 9p1 455.2438847 0.00189982219.9824802** 2.96D+00 < 2s|9s1>=-3.0D-03 < 1s|9s1>=-1.1D-02 9s1 0.7389728 0.2558328 1.0000232** 7.83D-03 9d1 0.7387214 0.0144710 1.0000311** 1.03D-04 <2ph|9p2>=-1.4D-03 9p2 0.8774438 0.3300320 0.9996595** 1.03D-03 < 2s|9s2>=-1.0D-01 <3sh|9s2>= 3.1D-05 < 1s|9s2>=-2.6D-01 9s2 0.8783870 -0.6702345 1.0395701** 1.98D-01 <3dh|9d2>= 8.7D-04 9d2 0.8780074 0.0192321 1.0000218** 3.65D-04 <2ph|9p3>= 1.6D-03 9p3 0.8775147 -0.0773443 1.0000035** 6.59D-04 9f1 0.8773861 0.0024985 1.0000245** 8.08D-05 < 2s|9s1>=-2.3D-08 < 1s|9s1>=-1.7D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.2D-08 1 0.000715 2 -0.059412 3 0.127530 4 -0.007946 5 0.006977 6 0.013655 7 -0.028703 8 -0.034871 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.47D+01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-3.14922E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12335E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48649E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.22149E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48056E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02315E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79984E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54125E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0018621 0.0079531 1.0005703 c 1.07D+00 9p1 8722.4145764 0.0000000************** 3.13D+00 < 2s|9s1>= 3.4D-03 < 1s|9s1>= 1.2D-02 9s1 0.7390971 0.3003101 1.0001073** 8.65D-03 9d1 0.7393128 0.0144951 0.9999685** 1.03D-04 <2ph|9p2>= 2.0D-03 9p2 0.8790030 0.3326193 0.9995879** 1.84D-03 < 2s|9s2>= 8.6D-02 <3sh|9s2>= 2.0D-04 < 1s|9s2>= 2.4D-01 9s2 0.8775133 0.3601317 1.0346782** 1.78D-01 <3dh|9d2>=-1.1D-03 9d2 0.8778980 0.0193473 0.9999800** 4.55D-04 <2ph|9p3>=-1.8D-03 9p3 0.8783708 -0.0781185 0.9999995** 7.29D-04 9f1 0.8784744 0.0025008 0.9999758** 7.95D-05 < 2s|9s1>= 2.2D-08 < 1s|9s1>= 1.6D-08 < 2s|9s2>=-2.0D-07 <3sh|9s2>=-4.0D-08 < 1s|9s2>=-1.5D-07 1 0.000004 2 -0.059415 3 0.127573 4 -0.007945 5 0.006975 6 0.013654 7 -0.028715 8 -0.034887 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.07D+00 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-3.14992E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12600E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48827E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.30649E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48795E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02377E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80078E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54139E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001370 0.0079489 0.9994694 c 1.46D+01 9p1 483.3076271 0.00190423521.8906116** 3.13D+00 < 2s|9s1>=-3.0D-03 < 1s|9s1>=-1.1D-02 9s1 0.7389746 0.2555060 1.0000282** 7.98D-03 9d1 0.7387181 0.0144701 1.0000326** 1.03D-04 <2ph|9p2>=-1.2D-03 9p2 0.8774327 0.3300547 1.0004270** 1.72D-03 < 2s|9s2>=-1.0D-01 <3sh|9s2>=-2.2D-04 < 1s|9s2>=-2.6D-01 9s2 0.8784339 -0.6715629 1.0397621** 1.98D-01 <3dh|9d2>= 9.0D-04 9d2 0.8779986 0.0192314 1.0000274** 3.76D-04 <2ph|9p3>= 1.7D-03 9p3 0.8775029 -0.0773381 1.0000054** 6.63D-04 9f1 0.8773787 0.0024985 1.0000247** 8.12D-05 < 2s|9s1>=-2.4D-08 < 1s|9s1>=-1.8D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.2D-08 1 0.000715 2 -0.059412 3 0.127530 4 -0.007946 5 0.006977 6 0.013655 7 -0.028703 8 -0.034871 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.46D+01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-3.14922E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12328E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48654E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.22159E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48043E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02315E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79984E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54124E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0018619 0.0079534 1.0005677 c 1.07D+00 9p1 8724.1947762 0.0000000************** 2.94D+00 < 2s|9s1>= 3.6D-03 < 1s|9s1>= 1.2D-02 9s1 0.7390974 0.3010226 1.0001117** 8.91D-03 9d1 0.7393179 0.0144922 0.9999674** 1.03D-04 <2ph|9p2>= 2.0D-03 9p2 0.8789825 0.3322781 0.9996045** 1.89D-03 < 2s|9s2>= 8.6D-02 <3sh|9s2>= 1.9D-04 < 1s|9s2>= 2.4D-01 9s2 0.8775127 0.3610709 1.0348275** 1.79D-01 <3dh|9d2>=-1.1D-03 9d2 0.8779039 0.0193283 0.9999794** 4.56D-04 <2ph|9p3>=-1.8D-03 9p3 0.8783725 -0.0781245 0.9999994** 7.39D-04 9f1 0.8784808 0.0025007 0.9999753** 8.17D-05 < 2s|9s1>= 2.2D-08 < 1s|9s1>= 1.7D-08 < 2s|9s2>=-2.0D-07 <3sh|9s2>=-4.0D-08 < 1s|9s2>=-1.5D-07 1 0.000005 2 -0.059415 3 0.127573 4 -0.007945 5 0.006975 6 0.013654 7 -0.028715 8 -0.034887 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.07D+00 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-3.14988E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12601E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48814E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.30633E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48793E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02377E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80078E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54140E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001369 0.0079490 0.9994498 c 1.46D+01 9p1 475.0423124 0.00190312429.7636207** 2.94D+00 < 2s|9s1>=-3.0D-03 < 1s|9s1>=-1.1D-02 9s1 0.7389741 0.2555225 1.0000278** 7.97D-03 9d1 0.7387183 0.0144702 1.0000327** 1.03D-04 <2ph|9p2>=-1.2D-03 9p2 0.8774310 0.3300536 1.0004079** 1.73D-03 < 2s|9s2>=-1.0D-01 <3sh|9s2>=-2.2D-04 < 1s|9s2>=-2.6D-01 9s2 0.8784325 -0.6712621 1.0397184** 1.98D-01 <3dh|9d2>= 9.0D-04 9d2 0.8779994 0.0192319 1.0000277** 3.77D-04 <2ph|9p3>= 1.7D-03 9p3 0.8775025 -0.0773390 1.0000055** 6.62D-04 9f1 0.8773788 0.0024985 1.0000248** 8.14D-05 < 2s|9s1>=-2.4D-08 < 1s|9s1>=-1.8D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.2D-08 1 0.000715 2 -0.059412 3 0.127530 4 -0.007946 5 0.006977 6 0.013655 7 -0.028703 8 -0.034871 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.46D+01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-3.14922E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12331E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48653E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.22153E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48046E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02315E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79984E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54124E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0018622 0.0079534 1.0005577 c 1.07D+00 9p1 8722.6580933 0.0000000************** 2.95D+00 < 2s|9s1>= 1.8D-03 < 1s|9s1>= 9.6D-03 9s1 0.7389975 0.2938414 1.0001275** 6.36D-03 9d1 0.7393163 0.0144677 0.9999684** 1.03D-04 <2ph|9p2>= 7.9D-04 9p2 0.8778607 0.3292949 1.0003325** 1.12D-03 < 2s|9s2>= 1.0D-01 <3sh|9s2>= 6.0D-04 < 1s|9s2>= 2.7D-01 9s2 0.8773426 0.4384794 1.0459290** 2.07D-01 <3dh|9d2>=-1.1D-03 9d2 0.8778810 0.0191489 0.9999855** 4.45D-04 <2ph|9p3>=-1.8D-03 9p3 0.8783599 -0.0780980 1.0000010** 7.39D-04 9f1 0.8784763 0.0024995 0.9999752** 8.25D-05 < 2s|9s1>= 1.6D-08 < 1s|9s1>= 1.2D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.000006 2 -0.059416 3 0.127573 4 -0.007951 5 0.006976 6 0.013654 7 -0.028715 8 -0.034887 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.07D+00 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-3.14972E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12599E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48432E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.30676E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48633E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02372E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80075E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54146E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001357 0.0079487 0.9993987 c 1.47D+01 9p1 449.7127571 -0.00189912295.0876194** 2.95D+00 < 2s|9s1>=-3.0D-03 < 1s|9s1>=-1.1D-02 9s1 0.7389727 0.2558459 1.0000229** 7.83D-03 9d1 0.7387216 0.0144711 1.0000312** 1.03D-04 <2ph|9p2>=-1.4D-03 9p2 0.8774445 0.3300313 0.9996675** 1.01D-03 < 2s|9s2>=-1.0D-01 <3sh|9s2>= 2.9D-05 < 1s|9s2>=-2.6D-01 9s2 0.8783872 -0.6702393 1.0395707** 1.98D-01 <3dh|9d2>= 8.7D-04 9d2 0.8780081 0.0192323 1.0000219** 3.66D-04 <2ph|9p3>= 1.6D-03 9p3 0.8775143 -0.0773447 1.0000036** 6.58D-04 9f1 0.8773863 0.0024985 1.0000246** 8.10D-05 < 2s|9s1>=-2.3D-08 < 1s|9s1>=-1.7D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.2D-08 1 -0.000715 2 -0.059412 3 0.127530 4 -0.007946 5 0.006977 6 0.013655 7 -0.028703 8 -0.034871 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.47D+01 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-3.14921E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12336E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48648E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.22147E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48057E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02315E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79984E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54125E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0018621 0.0079532 1.0005642 c 1.07D+00 9p1 8722.3944409 0.0000000************** 2.96D+00 < 2s|9s1>= 3.6D-03 < 1s|9s1>= 1.2D-02 9s1 0.7391052 0.3007794 1.0001056** 8.82D-03 9d1 0.7393125 0.0144934 0.9999685** 1.03D-04 <2ph|9p2>= 2.1D-03 9p2 0.8790334 0.3324484 0.9995676** 2.04D-03 < 2s|9s2>= 8.4D-02 <3sh|9s2>= 1.6D-04 < 1s|9s2>= 2.3D-01 9s2 0.8775264 0.3546978 1.0339641** 1.76D-01 <3dh|9d2>=-1.1D-03 9d2 0.8778996 0.0193379 0.9999794** 4.56D-04 <2ph|9p3>=-1.8D-03 9p3 0.8783715 -0.0781206 0.9999994** 7.28D-04 9f1 0.8784743 0.0025007 0.9999759** 7.94D-05 < 2s|9s1>= 2.2D-08 < 1s|9s1>= 1.7D-08 < 2s|9s2>=-2.0D-07 <3sh|9s2>=-4.0D-08 < 1s|9s2>=-1.5D-07 1 -0.000006 2 -0.059415 3 0.127573 4 -0.007945 5 0.006975 6 0.013654 7 -0.028715 8 -0.034887 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.07D+00 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-3.14991E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12600E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48835E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.30630E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48800E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02377E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80078E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54139E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001370 0.0079489 0.9994628 c 1.46D+01 9p1 454.8588399 -0.00190072226.7851072** 2.96D+00 < 2s|9s1>=-3.0D-03 < 1s|9s1>=-1.1D-02 9s1 0.7389741 0.2555019 1.0000283** 7.98D-03 9d1 0.7387180 0.0144701 1.0000327** 1.03D-04 <2ph|9p2>=-1.2D-03 9p2 0.8774284 0.3300554 1.0004485** 1.87D-03 < 2s|9s2>=-1.0D-01 <3sh|9s2>=-2.3D-04 < 1s|9s2>=-2.6D-01 9s2 0.8784351 -0.6712485 1.0397165** 1.98D-01 <3dh|9d2>= 9.0D-04 9d2 0.8779981 0.0192315 1.0000280** 3.77D-04 <2ph|9p3>= 1.7D-03 9p3 0.8775021 -0.0773383 1.0000055** 6.63D-04 9f1 0.8773783 0.0024985 1.0000247** 8.11D-05 < 2s|9s1>=-2.4D-08 < 1s|9s1>=-1.8D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.2D-08 1 -0.000715 2 -0.059412 3 0.127530 4 -0.007946 5 0.006977 6 0.013655 7 -0.028703 8 -0.034871 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.46D+01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-3.14922E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12329E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48654E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.22158E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48044E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02315E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79984E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54124E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0018623 0.0079534 1.0005665 c 1.07D+00 9p1 8722.5709976 0.0000000************** 4.04D+00 < 2s|9s1>= 1.2D-03 < 1s|9s1>= 8.8D-03 9s1 0.7389654 0.2917416 1.0001358** 5.62D-03 9d1 0.7393167 0.0144632 0.9999685** 1.03D-04 <2ph|9p2>= 4.0D-04 9p2 0.8775770 0.3287200 1.0005219** 1.91D-03 < 2s|9s2>= 1.1D-01 <3sh|9s2>= 7.4D-04 < 1s|9s2>= 2.8D-01 9s2 0.8772890 0.4616033 1.0495989** 2.15D-01 <3dh|9d2>=-1.1D-03 9d2 0.8778750 0.0191136 0.9999874** 4.42D-04 <2ph|9p3>=-1.8D-03 9p3 0.8783564 -0.0780901 1.0000016** 7.41D-04 9f1 0.8784759 0.0024994 0.9999751** 8.29D-05 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.000003 2 -0.059416 3 0.127573 4 -0.007952 5 0.006976 6 0.013654 7 -0.028715 8 -0.034887 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.07D+00 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-3.14969E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12598E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48339E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.30701E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48592E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02370E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80074E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54148E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001354 0.0079486 0.9993972 c 1.48D+01 9p1 955.3966896 0.00193522400.1102441** 4.04D+00 < 2s|9s1>=-3.0D-03 < 1s|9s1>=-1.1D-02 9s1 0.7389729 0.2559277 1.0000217** 7.79D-03 9d1 0.7387226 0.0144712 1.0000310** 1.03D-04 <2ph|9p2>=-1.4D-03 9p2 0.8774542 0.3300257 0.9994801** 1.70D-03 < 2s|9s2>=-1.0D-01 <3sh|9s2>= 1.0D-04 < 1s|9s2>=-2.6D-01 9s2 0.8783750 -0.6703410 1.0395866** 1.98D-01 <3dh|9d2>= 8.7D-04 9d2 0.8780111 0.0192322 1.0000200** 3.62D-04 <2ph|9p3>= 1.6D-03 9p3 0.8775178 -0.0773460 1.0000031** 6.57D-04 9f1 0.8773885 0.0024985 1.0000246** 8.09D-05 < 2s|9s1>=-2.3D-08 < 1s|9s1>=-1.7D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.2D-08 1 0.000714 2 -0.059412 3 0.127530 4 -0.007946 5 0.006977 6 0.013655 7 -0.028703 8 -0.034871 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.48D+01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-3.14921E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12337E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48648E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.22162E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48058E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02315E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.79984E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54125E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc 0.0018570 0.0079531 1.0005664 c 1.07D+00 9p1 8745.4600177 0.0000000************** 2.95D+00 < 2s|9s1>= 3.5D-03 < 1s|9s1>= 1.2D-02 9s1 0.7391026 0.3004686 1.0001048** 8.71D-03 9d1 0.7393110 0.0144924 0.9999688** 1.03D-04 <2ph|9p2>= 2.1D-03 9p2 0.8789958 0.3323372 0.9995908** 1.95D-03 < 2s|9s2>= 8.4D-02 <3sh|9s2>= 1.7D-04 < 1s|9s2>= 2.3D-01 9s2 0.8775234 0.3551498 1.0340031** 1.77D-01 <3dh|9d2>=-1.1D-03 9d2 0.8778984 0.0193312 0.9999796** 4.55D-04 <2ph|9p3>=-1.8D-03 9p3 0.8783697 -0.0781181 0.9999994** 7.26D-04 9f1 0.8784719 0.0025007 0.9999760** 7.90D-05 < 2s|9s1>= 2.2D-08 < 1s|9s1>= 1.6D-08 < 2s|9s2>=-2.0D-07 <3sh|9s2>=-4.0D-08 < 1s|9s2>=-1.5D-07 1 0.000006 2 -0.059415 3 0.127573 4 -0.007945 5 0.006975 6 0.013654 7 -0.028715 8 -0.034887 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.07D+00 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-3.14990E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.12599E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48824E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.30630E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.48793E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02377E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80077E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54139E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM kpc -0.0001370 0.0079488 0.9994668 c 1.46D+01 9p1 474.9173544 0.00190312306.8933745** 2.94D+00 < 2s|9s1>=-3.0D-03 < 1s|9s1>=-1.1D-02 9s1 0.7389742 0.2555771 1.0000279** 7.95D-03 9d1 0.7387189 0.0144701 1.0000325** 1.03D-04 <2ph|9p2>=-1.2D-03 9p2 0.8774308 0.3300564 1.0004247** 1.79D-03 < 2s|9s2>=-1.0D-01 <3sh|9s2>=-2.3D-04 < 1s|9s2>=-2.6D-01 9s2 0.8784326 -0.6699875 1.0395126** 1.98D-01 <3dh|9d2>= 9.0D-04 9d2 0.8779981 0.0192315 1.0000278** 3.76D-04 <2ph|9p3>= 1.7D-03 9p3 0.8775036 -0.0773393 1.0000055** 6.61D-04 9f1 0.8773799 0.0024985 1.0000246** 8.09D-05 < 2s|9s1>=-2.3D-08 < 1s|9s1>=-1.7D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.2D-08 1 0.000715 2 -0.059412 3 0.127530 4 -0.007946 5 0.006977 6 0.013655 7 -0.028703 8 -0.034871 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.46D+01 *** CALCULATIONS FOR k^2 = 0.0100 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 0.000716 2 -0.059334 3 0.127377 4 -0.007941 5 0.006968 6 0.013641 7 -0.028676 8 -0.034846 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-3.15408E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 5.13013E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.48885E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.21821E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 8.49590E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.02444E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.80203E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.54449E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 74points in CSOLVE. End of range: 157.98498549519 au. in WKB: r-value too small, r= 30.151962130172 kpc 0.0024256 0.0074272 0.9343718 c 1.06D+00 9p1 8106.7881079 0.0000000************** 4.06D+00 < 2s|9s1>=-2.1D-01 < 1s|9s1>=-7.6D-01 9s1 0.7324556 -1.2830595 1.6192005** 5.72D-01 9d1 0.7075286 0.0137415 1.0046312** 1.07D-02 <2ph|9p2>=-1.7D-01 9p2 0.8260758 0.2785091 1.0170352** 7.24D-02 < 2s|9s2>=-3.4D-01 <3sh|9s2>=-9.8D-04 < 1s|9s2>=-9.4D-01 9s2 0.9245204 -1.9269290 22.9179338** 6.81D-01 <3dh|9d2>= 9.6D-02 9d2 0.8831615 0.0177934 1.0117956** 3.64D-02 <2ph|9p3>= 1.9D-01 9p3 0.8363032 -0.0340715 1.0183776** 7.61D-02 9f1 0.8224610 0.0023999 1.0025265** 6.12D-03 < 2s|9s1>= 3.8D-07 < 1s|9s1>= 2.8D-07 < 2s|9s2>= 1.7D-06 <3sh|9s2>= 3.5D-07 < 1s|9s2>= 1.3D-06 1 -0.000003 2 -0.058896 3 0.123044 4 -0.007663 5 0.005173 6 0.013819 7 -0.027570 8 -0.033274 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.06D+00 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-3.04409E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.86679E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51978E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.42979E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.10127E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.33225E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.70490E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.50570E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0008185 0.0073696 0.9922506 c 1.96D+00 9p1 787.8535860 -0.00164782695.4671048** 4.06D+00 < 2s|9s1>=-9.7D-03 < 1s|9s1>=-4.7D-02 9s1 0.7400355 0.1858531 1.0017591** 3.73D-02 9d1 0.7389425 0.0139962 0.9995311** 1.83D-03 <2ph|9p2>= 6.0D-03 9p2 0.8757522 0.3332676 0.9970858** 1.20D-02 < 2s|9s2>=-1.4D-01 <3sh|9s2>= 7.3D-03 < 1s|9s2>=-5.5D-01 9s2 0.8737988 -1.1287930 1.7222977** 6.46D-01 <3dh|9d2>=-1.5D-03 9d2 0.8765638 0.0174272 0.9996746** 3.16D-03 <2ph|9p3>= 9.2D-03 9p3 0.8791225 -0.0745418 0.9994375** 6.79D-03 9f1 0.8772114 0.0024549 0.9993986** 2.37D-03 < 2s|9s1>=-1.3D-07 < 1s|9s1>=-9.4D-08 < 2s|9s2>=-9.8D-08 <3sh|9s2>=-2.0D-08 < 1s|9s2>=-7.3D-08 1 -0.000531 2 -0.058923 3 0.122840 4 -0.007687 5 0.007319 6 0.013778 7 -0.027578 8 -0.033220 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.96D+00 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-3.02285E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85162E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50239E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.96308E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.89002E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40612E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71185E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49805E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0025659 0.0073682 0.9998081 c 6.81D-01 9p1 12723.8347651 0.0000000************** 2.96D+00 < 2s|9s1>= 1.5D-03 < 1s|9s1>= 6.5D-03 9s1 0.7403555 0.2783450 1.0001948** 4.62D-03 9d1 0.7404535 0.0139873 0.9999558** 1.91D-04 <2ph|9p2>= 3.7D-03 9p2 0.8788679 0.3232791 1.0023351** 7.53D-03 < 2s|9s2>= 1.4D-01 <3sh|9s2>=-1.2D-03 < 1s|9s2>= 3.6D-01 9s2 0.8798757 0.6391136 1.0879303** 2.79D-01 <3dh|9d2>=-1.4D-03 9d2 0.8791793 0.0173249 0.9999148** 1.18D-03 <2ph|9p3>=-2.0D-03 9p3 0.8794579 -0.0766606 0.9999734** 7.75D-04 9f1 0.8795571 0.0024533 0.9999514** 2.03D-04 < 2s|9s1>= 1.2D-08 < 1s|9s1>= 8.6D-09 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 0.000006 2 -0.058944 3 0.122885 4 -0.007705 5 0.007322 6 0.013774 7 -0.027590 8 -0.033237 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.81D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-3.01962E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85182E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49370E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.03484E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87825E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40631E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71329E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49848E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0011332 0.0073661 0.9997116 c 1.26D+00 9p1 579.7636576 0.00169011876.0011331** 2.96D+00 < 2s|9s1>=-1.6D-03 < 1s|9s1>=-6.1D-03 9s1 0.7402694 0.2547046 0.9999936** 4.33D-03 9d1 0.7399671 0.0139926 1.0000236** 7.50D-05 <2ph|9p2>=-7.2D-04 9p2 0.8786606 0.3233337 0.9997376** 8.45D-04 < 2s|9s2>=-5.5D-02 <3sh|9s2>= 7.5D-06 < 1s|9s2>=-1.4D-01 9s2 0.8802073 -0.4160908 1.0101819** 1.03D-01 <3dh|9d2>= 5.0D-04 9d2 0.8796087 0.0174039 1.0000171** 2.48D-04 <2ph|9p3>= 9.5D-04 9p3 0.8786770 -0.0760401 1.0000071** 3.71D-04 9f1 0.8785975 0.0024528 1.0000208** 7.30D-05 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.2D-09 < 2s|9s2>=-8.7D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.5D-08 1 0.000527 2 -0.058946 3 0.122863 4 -0.007702 5 0.007325 6 0.013775 7 -0.027583 8 -0.033228 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.26D+00 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-3.01879E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85003E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49538E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.97057E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87315E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40145E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71261E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49830E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0025638 0.0073686 1.0003417 c 5.58D-01 9p1 12814.7747873 0.0000000************** 4.04D+00 < 2s|9s1>= 2.6D-03 < 1s|9s1>= 7.9D-03 9s1 0.7402880 0.2825052 1.0000327** 5.92D-03 9d1 0.7402769 0.0140118 0.9999788** 7.35D-05 <2ph|9p2>= 1.4D-03 9p2 0.8798460 0.3254577 0.9995322** 2.11D-03 < 2s|9s2>= 3.4D-02 <3sh|9s2>= 1.3D-05 < 1s|9s2>= 1.0D-01 9s2 0.8796014 0.0799057 1.0065968** 7.62D-02 <3dh|9d2>=-6.3D-04 9d2 0.8793875 0.0175072 0.9999838** 2.56D-04 <2ph|9p3>=-1.0D-03 9p3 0.8791685 -0.0764960 0.9999977** 4.15D-04 9f1 0.8792284 0.0024544 0.9999844** 4.98D-05 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.6D-07 <3sh|9s2>=-7.3D-08 < 1s|9s2>=-2.7D-07 1 0.000003 2 -0.058944 3 0.122884 4 -0.007700 5 0.007323 6 0.013774 7 -0.027590 8 -0.033237 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.58D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-3.01937E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85190E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49751E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.02094E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87825E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40557E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71324E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49841E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0011257 0.0073661 0.9996558 c 1.28D+00 9p1 1075.7847946 0.00171332441.2640174** 4.04D+00 < 2s|9s1>=-1.8D-03 < 1s|9s1>=-6.5D-03 9s1 0.7402652 0.2539541 1.0000024** 4.67D-03 9d1 0.7399622 0.0139920 1.0000221** 7.43D-05 <2ph|9p2>=-5.4D-04 9p2 0.8786322 0.3234389 1.0004643** 1.85D-03 < 2s|9s2>=-5.2D-02 <3sh|9s2>=-1.9D-04 < 1s|9s2>=-1.3D-01 9s2 0.8802513 -0.4112354 1.0098165** 1.03D-01 <3dh|9d2>= 5.0D-04 9d2 0.8795697 0.0174059 1.0000186** 2.07D-04 <2ph|9p3>= 9.5D-04 9p3 0.8786703 -0.0760370 1.0000042** 3.78D-04 9f1 0.8785967 0.0024529 1.0000158** 5.09D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.9D-09 < 2s|9s2>=-8.7D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.5D-08 1 0.000504 2 -0.058945 3 0.122862 4 -0.007702 5 0.007325 6 0.013775 7 -0.027583 8 -0.033228 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.28D+00 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-3.01882E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85004E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49537E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.97253E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87320E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40133E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71259E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49830E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0025012 0.0073683 1.0003037 c 5.50D-01 9p1 13397.4995459 0.0000000************** 3.01D+00 < 2s|9s1>= 8.0D-04 < 1s|9s1>= 5.1D-03 9s1 0.7401935 0.2752293 1.0000619** 3.31D-03 9d1 0.7402754 0.0139889 0.9999794** 7.12D-05 <2ph|9p2>= 2.0D-04 9p2 0.8787613 0.3226830 1.0002564** 9.48D-04 < 2s|9s2>= 5.2D-02 <3sh|9s2>= 4.0D-04 < 1s|9s2>= 1.4D-01 9s2 0.8794550 0.1590075 1.0117219** 1.05D-01 <3dh|9d2>=-6.1D-04 9d2 0.8793671 0.0173455 0.9999911** 2.38D-04 <2ph|9p3>=-1.0D-03 9p3 0.8791536 -0.0764659 0.9999994** 4.12D-04 9f1 0.8792219 0.0024534 0.9999844** 5.11D-05 < 2s|9s1>= 8.5D-09 < 1s|9s1>= 6.4D-09 < 2s|9s2>=-2.5D-07 <3sh|9s2>=-5.1D-08 < 1s|9s2>=-1.9D-07 1 -0.000006 2 -0.058945 3 0.122884 4 -0.007705 5 0.007323 6 0.013774 7 -0.027589 8 -0.033236 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.50D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-3.01919E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85181E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49376E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.02156E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87668E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40492E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71319E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49846E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0011270 0.0073656 0.9996310 c 1.22D+00 9p1 619.6001658 -0.00169161826.0610743** 2.95D+00 < 2s|9s1>=-1.7D-03 < 1s|9s1>=-6.1D-03 9s1 0.7402629 0.2546690 0.9999978** 4.38D-03 9d1 0.7399705 0.0139928 1.0000201** 7.10D-05 <2ph|9p2>=-6.8D-04 9p2 0.8786501 0.3234169 0.9997424** 8.55D-04 < 2s|9s2>=-5.0D-02 <3sh|9s2>= 4.1D-05 < 1s|9s2>=-1.3D-01 9s2 0.8801993 -0.3989217 1.0089309** 9.85D-02 <3dh|9d2>= 4.6D-04 9d2 0.8795707 0.0174057 1.0000129** 1.91D-04 <2ph|9p3>= 9.0D-04 9p3 0.8786897 -0.0760499 1.0000023** 3.60D-04 9f1 0.8786145 0.0024529 1.0000152** 4.92D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.3D-09 < 2s|9s2>=-8.6D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.4D-08 1 -0.000527 2 -0.058945 3 0.122863 4 -0.007701 5 0.007325 6 0.013775 7 -0.027583 8 -0.033228 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.22D+00 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-3.01888E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85009E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49540E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.97119E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87342E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40145E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71258E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49831E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0025636 0.0073682 1.0003550 c 5.60D-01 9p1 12817.5779946 0.0000000************** 2.96D+00 < 2s|9s1>= 6.9D-04 < 1s|9s1>= 5.0D-03 9s1 0.7401911 0.2748427 1.0000635** 3.18D-03 9d1 0.7402777 0.0139872 0.9999798** 7.40D-05 <2ph|9p2>= 2.0D-04 9p2 0.8787121 0.3225040 1.0003018** 1.11D-03 < 2s|9s2>= 5.5D-02 <3sh|9s2>= 4.1D-04 < 1s|9s2>= 1.4D-01 9s2 0.8794369 0.1719076 1.0127511** 1.10D-01 <3dh|9d2>=-6.3D-04 9d2 0.8793597 0.0173337 0.9999914** 2.47D-04 <2ph|9p3>=-1.0D-03 9p3 0.8791631 -0.0764694 0.9999999** 4.22D-04 9f1 0.8792303 0.0024533 0.9999846** 5.01D-05 < 2s|9s1>= 8.2D-09 < 1s|9s1>= 6.1D-09 < 2s|9s2>=-2.5D-07 <3sh|9s2>=-5.0D-08 < 1s|9s2>=-1.8D-07 1 0.000007 2 -0.058945 3 0.122884 4 -0.007705 5 0.007323 6 0.013774 7 -0.027590 8 -0.033237 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.60D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-3.01923E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85184E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49355E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.02176E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87671E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40511E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71321E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49847E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0011269 0.0073655 0.9996283 c 1.27D+00 9p1 533.6206492 0.00168491828.7813960** 2.96D+00 < 2s|9s1>=-1.7D-03 < 1s|9s1>=-6.3D-03 9s1 0.7402627 0.2543863 0.9999982** 4.49D-03 9d1 0.7399662 0.0139927 1.0000204** 7.41D-05 <2ph|9p2>=-7.3D-04 9p2 0.8786422 0.3234073 0.9996985** 1.01D-03 < 2s|9s2>=-5.2D-02 <3sh|9s2>= 5.7D-05 < 1s|9s2>=-1.3D-01 9s2 0.8802128 -0.4102938 1.0097569** 1.03D-01 <3dh|9d2>= 4.8D-04 9d2 0.8795787 0.0174056 1.0000129** 1.98D-04 <2ph|9p3>= 9.4D-04 9p3 0.8786815 -0.0760431 1.0000023** 3.73D-04 9f1 0.8786045 0.0024529 1.0000156** 5.06D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.6D-09 < 2s|9s2>=-8.7D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.4D-08 1 0.000527 2 -0.058945 3 0.122863 4 -0.007701 5 0.007325 6 0.013775 7 -0.027583 8 -0.033228 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.27D+00 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-3.01888E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85008E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49541E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.97095E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87340E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40145E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71258E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49831E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0025635 0.0073681 1.0003612 c 5.60D-01 9p1 12816.5514160 0.0000000************** 2.95D+00 < 2s|9s1>= 7.6D-04 < 1s|9s1>= 5.1D-03 9s1 0.7401948 0.2751012 1.0000621** 3.27D-03 9d1 0.7402774 0.0139882 0.9999798** 7.41D-05 <2ph|9p2>= 2.5D-04 9p2 0.8787570 0.3226366 1.0002712** 9.88D-04 < 2s|9s2>= 5.4D-02 <3sh|9s2>= 3.9D-04 < 1s|9s2>= 1.4D-01 9s2 0.8794435 0.1685732 1.0124901** 1.08D-01 <3dh|9d2>=-6.4D-04 9d2 0.8793600 0.0173411 0.9999910** 2.48D-04 <2ph|9p3>=-1.0D-03 9p3 0.8791634 -0.0764700 0.9999997** 4.21D-04 9f1 0.8792300 0.0024533 0.9999845** 5.04D-05 < 2s|9s1>= 8.4D-09 < 1s|9s1>= 6.3D-09 < 2s|9s2>=-2.5D-07 <3sh|9s2>=-5.0D-08 < 1s|9s2>=-1.8D-07 1 -0.000006 2 -0.058945 3 0.122884 4 -0.007705 5 0.007323 6 0.013774 7 -0.027590 8 -0.033237 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.60D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-3.01925E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85184E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49372E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.02179E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87678E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40513E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71322E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49847E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0011269 0.0073654 0.9996378 c 1.27D+00 9p1 600.3832900 -0.00169031896.3161530** 2.95D+00 < 2s|9s1>=-1.7D-03 < 1s|9s1>=-6.3D-03 9s1 0.7402630 0.2543811 0.9999984** 4.49D-03 9d1 0.7399662 0.0139927 1.0000205** 7.41D-05 <2ph|9p2>=-7.2D-04 9p2 0.8786432 0.3234094 0.9997290** 8.99D-04 < 2s|9s2>=-5.2D-02 <3sh|9s2>= 4.7D-05 < 1s|9s2>=-1.3D-01 9s2 0.8802149 -0.4102450 1.0097517** 1.03D-01 <3dh|9d2>= 4.8D-04 9d2 0.8795784 0.0174054 1.0000132** 1.98D-04 <2ph|9p3>= 9.4D-04 9p3 0.8786814 -0.0760428 1.0000024** 3.73D-04 9f1 0.8786045 0.0024529 1.0000156** 5.06D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.6D-09 < 2s|9s2>=-8.7D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.4D-08 1 -0.000527 2 -0.058945 3 0.122863 4 -0.007701 5 0.007325 6 0.013775 7 -0.027583 8 -0.033228 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.27D+00 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-3.01888E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85007E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49541E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.97097E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87339E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40145E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71258E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49831E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0025636 0.0073681 1.0003632 c 5.60D-01 9p1 12816.5769644 0.0000000************** 4.31D+00 < 2s|9s1>= 2.5D-03 < 1s|9s1>= 7.7D-03 9s1 0.7402882 0.2820378 1.0000354** 5.73D-03 9d1 0.7402789 0.0140148 0.9999789** 7.41D-05 <2ph|9p2>= 1.5D-03 9p2 0.8798746 0.3258245 0.9995342** 2.01D-03 < 2s|9s2>= 3.7D-02 <3sh|9s2>= 3.0D-07 < 1s|9s2>= 1.1D-01 9s2 0.8796025 0.0938719 1.0074463** 8.14D-02 <3dh|9d2>=-6.5D-04 9d2 0.8793793 0.0175252 0.9999859** 2.58D-04 <2ph|9p3>=-1.0D-03 9p3 0.8791757 -0.0764964 0.9999980** 4.21D-04 9f1 0.8792342 0.0024546 0.9999846** 4.96D-05 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.3D-07 <3sh|9s2>=-6.6D-08 < 1s|9s2>=-2.4D-07 1 -0.000002 2 -0.058944 3 0.122884 4 -0.007699 5 0.007323 6 0.013774 7 -0.027590 8 -0.033237 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.60D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-3.01941E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85187E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49763E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.02150E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87826E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40559E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71324E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49840E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0011259 0.0073659 0.9996919 c 1.28D+00 9p1 1172.4877851 -0.00171673266.8451621** 4.31D+00 < 2s|9s1>=-1.7D-03 < 1s|9s1>=-6.5D-03 9s1 0.7402651 0.2540123 1.0000023** 4.65D-03 9d1 0.7399625 0.0139918 1.0000221** 7.43D-05 <2ph|9p2>=-5.4D-04 9p2 0.8786338 0.3234348 1.0004811** 1.85D-03 < 2s|9s2>=-5.2D-02 <3sh|9s2>=-1.9D-04 < 1s|9s2>=-1.4D-01 9s2 0.8802526 -0.4119750 1.0098675** 1.03D-01 <3dh|9d2>= 5.0D-04 9d2 0.8795706 0.0174050 1.0000181** 2.08D-04 <2ph|9p3>= 9.5D-04 9p3 0.8786701 -0.0760364 1.0000043** 3.77D-04 9f1 0.8785967 0.0024528 1.0000159** 5.12D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.9D-09 < 2s|9s2>=-8.7D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.5D-08 1 -0.000500 2 -0.058945 3 0.122862 4 -0.007701 5 0.007325 6 0.013775 7 -0.027583 8 -0.033228 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.28D+00 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-3.01888E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85002E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49546E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.97313E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87329E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40134E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71259E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49829E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0024916 0.0073684 1.0003418 c 5.48D-01 9p1 13493.9340419 0.0000000************** 2.92D+00 < 2s|9s1>= 9.0D-04 < 1s|9s1>= 5.2D-03 9s1 0.7401999 0.2755707 1.0000593** 3.43D-03 9d1 0.7402737 0.0139902 0.9999796** 7.07D-05 <2ph|9p2>= 2.8D-04 9p2 0.8788335 0.3228634 1.0002156** 7.87D-04 < 2s|9s2>= 5.1D-02 <3sh|9s2>= 3.7D-04 < 1s|9s2>= 1.3D-01 9s2 0.8794687 0.1514229 1.0111505** 1.02D-01 <3dh|9d2>=-6.1D-04 9d2 0.8793686 0.0173551 0.9999909** 2.37D-04 <2ph|9p3>=-1.0D-03 9p3 0.8791521 -0.0764644 0.9999993** 4.08D-04 9f1 0.8792189 0.0024534 0.9999846** 5.06D-05 < 2s|9s1>= 8.9D-09 < 1s|9s1>= 6.6D-09 < 2s|9s2>=-2.6D-07 <3sh|9s2>=-5.2D-08 < 1s|9s2>=-1.9D-07 1 0.000005 2 -0.058945 3 0.122883 4 -0.007705 5 0.007323 6 0.013774 7 -0.027589 8 -0.033236 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.48D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-3.01919E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85176E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49400E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.02151E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87668E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40488E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71319E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49845E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0011270 0.0073657 0.9996402 c 1.21D+00 9p1 677.2736443 0.00169551998.6451848** 2.92D+00 < 2s|9s1>=-1.6D-03 < 1s|9s1>=-6.0D-03 9s1 0.7402620 0.2550006 0.9999974** 4.26D-03 9d1 0.7399737 0.0139928 1.0000196** 7.04D-05 <2ph|9p2>=-6.8D-04 9p2 0.8786570 0.3234193 0.9997820** 7.14D-04 < 2s|9s2>=-5.0D-02 <3sh|9s2>= 3.3D-05 < 1s|9s2>=-1.3D-01 9s2 0.8801970 -0.3963827 1.0087504** 9.76D-02 <3dh|9d2>= 4.5D-04 9d2 0.8795716 0.0174059 1.0000127** 1.88D-04 <2ph|9p3>= 8.9D-04 9p3 0.8786912 -0.0760534 1.0000024** 3.53D-04 9f1 0.8786191 0.0024529 1.0000149** 4.82D-05 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-9.0D-09 < 2s|9s2>=-8.6D-08 <3sh|9s2>=-1.7D-08 < 1s|9s2>=-6.4D-08 1 0.000527 2 -0.058945 3 0.122863 4 -0.007701 5 0.007325 6 0.013775 7 -0.027583 8 -0.033228 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.21D+00 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-3.01887E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85008E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49540E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.97123E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87342E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40145E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71258E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49831E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0025636 0.0073683 1.0003484 c 5.60D-01 9p1 12818.4557655 0.0000000************** 2.95D+00 < 2s|9s1>= 8.1D-04 < 1s|9s1>= 5.2D-03 9s1 0.7401970 0.2753338 1.0000616** 3.35D-03 9d1 0.7402783 0.0139888 0.9999798** 7.40D-05 <2ph|9p2>= 2.8D-04 9p2 0.8787833 0.3226964 1.0002555** 9.26D-04 < 2s|9s2>= 5.4D-02 <3sh|9s2>= 3.8D-04 < 1s|9s2>= 1.4D-01 9s2 0.8794467 0.1673960 1.0124064** 1.08D-01 <3dh|9d2>=-6.4D-04 9d2 0.8793616 0.0173451 0.9999910** 2.47D-04 <2ph|9p3>=-1.0D-03 9p3 0.8791638 -0.0764718 0.9999998** 4.24D-04 9f1 0.8792312 0.0024534 0.9999846** 5.00D-05 < 2s|9s1>= 8.6D-09 < 1s|9s1>= 6.4D-09 < 2s|9s2>=-2.5D-07 <3sh|9s2>=-5.0D-08 < 1s|9s2>=-1.8D-07 1 -0.000006 2 -0.058945 3 0.122884 4 -0.007705 5 0.007323 6 0.013774 7 -0.027590 8 -0.033237 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.60D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-3.01925E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85185E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49380E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.02176E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87683E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40515E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71322E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49847E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0011269 0.0073656 0.9996293 c 1.27D+00 9p1 629.0770588 -0.00169231941.8964138** 2.95D+00 < 2s|9s1>=-1.7D-03 < 1s|9s1>=-6.3D-03 9s1 0.7402632 0.2543273 0.9999984** 4.51D-03 9d1 0.7399656 0.0139927 1.0000206** 7.41D-05 <2ph|9p2>=-7.1D-04 9p2 0.8786427 0.3234100 0.9997450** 8.42D-04 < 2s|9s2>=-5.2D-02 <3sh|9s2>= 4.1D-05 < 1s|9s2>=-1.3D-01 9s2 0.8802161 -0.4107391 1.0097881** 1.03D-01 <3dh|9d2>= 4.8D-04 9d2 0.8795780 0.0174057 1.0000133** 1.98D-04 <2ph|9p3>= 9.4D-04 9p3 0.8786808 -0.0760423 1.0000025** 3.74D-04 9f1 0.8786036 0.0024529 1.0000157** 5.08D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.6D-09 < 2s|9s2>=-8.7D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.4D-08 1 -0.000527 2 -0.058945 3 0.122863 4 -0.007701 5 0.007325 6 0.013775 7 -0.027583 8 -0.033228 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.27D+00 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-3.01888E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85008E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49541E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.97093E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87339E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40145E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71258E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49831E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0025636 0.0073682 1.0003568 c 5.60D-01 9p1 12816.1571491 0.0000000************** 2.95D+00 < 2s|9s1>= 2.3D-03 < 1s|9s1>= 7.4D-03 9s1 0.7402782 0.2812549 1.0000375** 5.45D-03 9d1 0.7402786 0.0140101 0.9999790** 7.41D-05 <2ph|9p2>= 1.3D-03 9p2 0.8797232 0.3252789 0.9996330** 1.65D-03 < 2s|9s2>= 3.9D-02 <3sh|9s2>= 4.2D-05 < 1s|9s2>= 1.1D-01 9s2 0.8795849 0.1024428 1.0079573** 8.45D-02 <3dh|9d2>=-6.5D-04 9d2 0.8793772 0.0174941 0.9999864** 2.56D-04 <2ph|9p3>=-1.0D-03 9p3 0.8791743 -0.0764937 0.9999982** 4.20D-04 9f1 0.8792337 0.0024544 0.9999845** 4.98D-05 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-3.1D-07 <3sh|9s2>=-6.3D-08 < 1s|9s2>=-2.3D-07 1 -0.000007 2 -0.058944 3 0.122884 4 -0.007700 5 0.007323 6 0.013774 7 -0.027590 8 -0.033237 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.60D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-3.01937E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85187E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49706E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.02139E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.87803E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.40552E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71324E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.49841E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0011260 0.0073658 0.9996715 c 1.28D+00 9p1 500.4850015 -0.00168271820.7848994** 2.95D+00 < 2s|9s1>=-1.7D-03 < 1s|9s1>=-6.5D-03 9s1 0.7402638 0.2540836 1.0000019** 4.62D-03 9d1 0.7399632 0.0139920 1.0000218** 7.43D-05 <2ph|9p2>=-5.8D-04 9p2 0.8786277 0.3234284 1.0003784** 1.50D-03 < 2s|9s2>=-5.2D-02 <3sh|9s2>=-1.6D-04 < 1s|9s2>=-1.3D-01 9s2 0.8802458 -0.4109939 1.0098002** 1.03D-01 <3dh|9d2>= 5.0D-04 9d2 0.8795712 0.0174053 1.0000176** 2.07D-04 <2ph|9p3>= 9.5D-04 9p3 0.8786710 -0.0760380 1.0000040** 3.76D-04 9f1 0.8785978 0.0024528 1.0000158** 5.10D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.8D-09 < 2s|9s2>=-8.7D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.5D-08 1 -0.000527 2 -0.058945 3 0.122862 4 -0.007701 5 0.007325 6 0.013775 7 -0.027583 8 -0.033228 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.28D+00 *** CALCULATIONS FOR k^2 = 0.0090 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.000528 2 -0.058868 3 0.122715 4 -0.007697 5 0.007316 6 0.013761 7 -0.027557 8 -0.033204 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-3.02353E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.85651E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49780E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.96790E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.88742E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 9.41316E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.71469E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.50151E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 73points in CSOLVE. End of range: 168.17414165185 au. in WKB: r-value too small, r= 30.151962130172 kpc 0.0030697 0.0068301 0.9272772 c 6.33D-01 9p1 11714.1861734 0.0000000************** 2.95D+00 < 2s|9s1>=-2.1D-01 < 1s|9s1>=-7.8D-01 9s1 0.7303110 -1.3307022 1.6881636** 5.85D-01 9d1 0.7046762 0.0132383 1.0051755** 1.15D-02 <2ph|9p2>=-2.1D-01 9p2 0.8189186 0.2622775 1.0248336** 8.99D-02 < 2s|9s2>=-3.4D-01 <3sh|9s2>=-9.8D-04 < 1s|9s2>=-9.4D-01 9s2 0.9215324 -1.9282874 25.9633912** 6.81D-01 <3dh|9d2>= 1.1D-01 9d2 0.8825815 0.0162686 1.0131557** 3.96D-02 <2ph|9p3>= 2.1D-01 9p3 0.8299481 -0.0269163 1.0236025** 8.54D-02 9f1 0.8157389 0.0023466 1.0028347** 6.73D-03 < 2s|9s1>= 3.6D-07 < 1s|9s1>= 2.7D-07 < 2s|9s2>= 2.0D-06 <3sh|9s2>= 4.1D-07 < 1s|9s2>= 1.5D-06 1 -0.000005 2 -0.058222 3 0.118026 4 -0.007352 5 0.004987 6 0.013927 7 -0.026308 8 -0.031492 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.33D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-2.90891E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.58900E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.54223E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.28724E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.10189E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.32331E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61107E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.46179E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0018311 0.0067753 0.9919711 c 6.76D-01 9p1 564.9499033 -0.00147512405.5270825** 2.95D+00 < 2s|9s1>=-8.7D-03 < 1s|9s1>=-4.5D-02 9s1 0.7406687 0.1806071 1.0016810** 3.58D-02 9d1 0.7398104 0.0134898 0.9994803** 2.06D-03 <2ph|9p2>= 5.6D-03 9p2 0.8765191 0.3280324 0.9974980** 1.16D-02 < 2s|9s2>=-1.4D-01 <3sh|9s2>= 8.1D-03 < 1s|9s2>=-5.5D-01 9s2 0.8717195 -1.1363610 1.8831247** 6.83D-01 <3dh|9d2>=-1.6D-03 9d2 0.8768867 0.0156693 0.9996632** 3.64D-03 <2ph|9p3>= 9.7D-03 9p3 0.8801460 -0.0729920 0.9993557** 7.48D-03 9f1 0.8781515 0.0024081 0.9993017** 2.79D-03 < 2s|9s1>=-1.2D-07 < 1s|9s1>=-8.7D-08 < 2s|9s2>=-9.6D-08 <3sh|9s2>=-1.9D-08 < 1s|9s2>=-7.1D-08 1 -0.000383 2 -0.058241 3 0.117825 4 -0.007394 5 0.007657 6 0.013881 7 -0.026317 8 -0.031440 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.76D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-2.88702E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57516E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51090E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.71024E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.29536E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60828E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61854E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45395E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0033400 0.0067748 0.9999328 c 4.52D-01 9p1 18447.0133932 0.0000000************** 3.04D+00 < 2s|9s1>= 2.3D-03 < 1s|9s1>= 8.2D-03 9s1 0.7412541 0.2713783 1.0001988** 5.74D-03 9d1 0.7414214 0.0134910 0.9999557** 2.11D-04 <2ph|9p2>= 5.1D-03 9p2 0.8804085 0.3180447 1.0024204** 7.96D-03 < 2s|9s2>= 1.6D-01 <3sh|9s2>=-1.4D-03 < 1s|9s2>= 4.0D-01 9s2 0.8802007 0.7286059 1.1125053** 3.11D-01 <3dh|9d2>=-1.6D-03 9d2 0.8797981 0.0156404 0.9999108** 1.31D-03 <2ph|9p3>=-2.3D-03 9p3 0.8805624 -0.0752742 0.9999632** 8.86D-04 9f1 0.8806626 0.0024066 0.9999468** 2.30D-04 < 2s|9s1>= 1.5D-08 < 1s|9s1>= 1.1D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.8D-08 < 1s|9s2>=-1.4D-07 1 0.000001 2 -0.058270 3 0.117879 4 -0.007411 5 0.007661 6 0.013879 7 -0.026330 8 -0.031459 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.52D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-2.88366E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57496E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50227E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.77145E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.28356E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60834E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61976E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45445E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021625 0.0067737 0.9998397 c 5.45D-01 9p1 1091.4872897 0.00155549597.6676863** 3.04D+00 < 2s|9s1>=-1.6D-03 < 1s|9s1>=-5.9D-03 9s1 0.7409404 0.2441213 0.9999916** 4.20D-03 9d1 0.7408139 0.0134860 1.0000205** 6.58D-05 <2ph|9p2>=-1.2D-03 9p2 0.8795765 0.3164894 1.0000136** 8.13D-04 < 2s|9s2>=-7.1D-02 <3sh|9s2>=-1.1D-04 < 1s|9s2>=-1.8D-01 9s2 0.8800441 -0.4975323 1.0176588** 1.33D-01 <3dh|9d2>= 6.1D-04 9d2 0.8799331 0.0156503 1.0000124** 2.92D-04 <2ph|9p3>= 1.1D-03 9p3 0.8796038 -0.0745402 1.0000076** 4.32D-04 9f1 0.8795371 0.0024055 1.0000209** 7.62D-05 < 2s|9s1>=-1.2D-08 < 1s|9s1>=-8.9D-09 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 0.000377 2 -0.058265 3 0.117852 4 -0.007410 5 0.007663 6 0.013879 7 -0.026322 8 -0.031449 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.45D-01 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-2.88269E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57372E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50246E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.71598E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27786E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60397E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61923E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45434E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0033293 0.0067764 1.0003877 c 3.50D-01 9p1 18740.8930182 0.0000000************** 2.96D+00 < 2s|9s1>= 1.1D-03 < 1s|9s1>= 5.7D-03 9s1 0.7410404 0.2657268 1.0000579** 3.85D-03 9d1 0.7412050 0.0134847 0.9999826** 5.68D-05 <2ph|9p2>= 7.1D-04 9p2 0.8799487 0.3163121 1.0001698** 5.23D-04 < 2s|9s2>= 6.7D-02 <3sh|9s2>= 3.7D-04 < 1s|9s2>= 1.7D-01 9s2 0.8796884 0.2370982 1.0186269** 1.33D-01 <3dh|9d2>=-6.6D-04 9d2 0.8799389 0.0156079 0.9999928** 2.62D-04 <2ph|9p3>=-1.2D-03 9p3 0.8801994 -0.0750382 1.0000002** 4.75D-04 9f1 0.8802668 0.0024063 0.9999847** 5.14D-05 < 2s|9s1>= 9.9D-09 < 1s|9s1>= 7.4D-09 < 2s|9s2>=-2.2D-07 <3sh|9s2>=-4.4D-08 < 1s|9s2>=-1.6D-07 1 -0.000006 2 -0.058270 3 0.117879 4 -0.007413 5 0.007663 6 0.013880 7 -0.026330 8 -0.031458 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.50D-01 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-2.88312E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57511E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50112E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.75648E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.28144E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60666E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61966E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45449E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021555 0.0067737 0.9996080 c 5.45D-01 9p1 756.4602361 -0.00154121535.8826559** 2.96D+00 < 2s|9s1>=-1.7D-03 < 1s|9s1>=-6.2D-03 9s1 0.7409342 0.2435612 0.9999966** 4.45D-03 9d1 0.7408124 0.0134869 1.0000167** 5.46D-05 <2ph|9p2>=-1.2D-03 9p2 0.8795476 0.3165773 0.9998082** 6.52D-04 < 2s|9s2>=-6.7D-02 <3sh|9s2>=-2.3D-05 < 1s|9s2>=-1.7D-01 9s2 0.8800429 -0.4870085 1.0166233** 1.32D-01 <3dh|9d2>= 5.8D-04 9d2 0.8798987 0.0156546 1.0000076** 2.29D-04 <2ph|9p3>= 1.1D-03 9p3 0.8796133 -0.0745461 1.0000014** 4.38D-04 9f1 0.8795465 0.0024057 1.0000147** 4.95D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.5D-09 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 -0.000379 2 -0.058264 3 0.117852 4 -0.007410 5 0.007663 6 0.013880 7 -0.026322 8 -0.031449 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.45D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-2.88278E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57388E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50240E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.71613E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27824E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60400E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61920E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45438E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0033369 0.0067761 1.0003580 c 3.54D-01 9p1 18619.2507910 0.0000000************** 2.94D+00 < 2s|9s1>= 2.1D-03 < 1s|9s1>= 7.0D-03 9s1 0.7411069 0.2694068 1.0000408** 5.12D-03 9d1 0.7412050 0.0135009 0.9999829** 5.50D-05 <2ph|9p2>= 1.7D-03 9p2 0.8806382 0.3183102 0.9997259** 1.38D-03 < 2s|9s2>= 6.0D-02 <3sh|9s2>= 8.1D-05 < 1s|9s2>= 1.6D-01 9s2 0.8797926 0.2073171 1.0160379** 1.22D-01 <3dh|9d2>=-7.0D-04 9d2 0.8799384 0.0157162 0.9999924** 2.70D-04 <2ph|9p3>=-1.2D-03 9p3 0.8802179 -0.0750557 0.9999995** 4.74D-04 9f1 0.8802735 0.0024071 0.9999853** 4.95D-05 < 2s|9s1>= 1.3D-08 < 1s|9s1>= 9.9D-09 < 2s|9s2>=-2.3D-07 <3sh|9s2>=-4.6D-08 < 1s|9s2>=-1.7D-07 1 -0.000006 2 -0.058270 3 0.117879 4 -0.007410 5 0.007663 6 0.013880 7 -0.026330 8 -0.031459 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.54D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-2.88326E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57513E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50357E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.75666E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.28232E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60695E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61968E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45445E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021551 0.0067738 0.9996530 c 5.48D-01 9p1 700.7606407 -0.00153901560.1334525** 2.94D+00 < 2s|9s1>=-1.7D-03 < 1s|9s1>=-6.4D-03 9s1 0.7409347 0.2432192 0.9999993** 4.59D-03 9d1 0.7408082 0.0134862 1.0000178** 5.51D-05 <2ph|9p2>=-1.1D-03 9p2 0.8795333 0.3165896 1.0002836** 1.28D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>=-1.6D-04 < 1s|9s2>=-1.7D-01 9s2 0.8800673 -0.4908272 1.0169916** 1.33D-01 <3dh|9d2>= 6.0D-04 9d2 0.8798938 0.0156539 1.0000104** 2.38D-04 <2ph|9p3>= 1.1D-03 9p3 0.8796040 -0.0745394 1.0000027** 4.46D-04 9f1 0.8795379 0.0024057 1.0000151** 5.07D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.8D-09 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 -0.000379 2 -0.058265 3 0.117852 4 -0.007410 5 0.007663 6 0.013879 7 -0.026322 8 -0.031449 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.48D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-2.88278E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57383E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50244E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.71612E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27816E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60398E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61920E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45436E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0033370 0.0067762 1.0003632 c 3.54D-01 9p1 18617.8821703 0.0000000************** 3.75D+00 < 2s|9s1>= 5.4D-04 < 1s|9s1>= 4.8D-03 9s1 0.7410210 0.2633499 1.0000676** 2.98D-03 9d1 0.7412072 0.0134762 0.9999830** 5.52D-05 <2ph|9p2>= 4.8D-04 9p2 0.8796131 0.3153330 1.0004172** 1.42D-03 < 2s|9s2>= 7.5D-02 <3sh|9s2>= 4.4D-04 < 1s|9s2>= 1.9D-01 9s2 0.8796536 0.2727993 1.0222899** 1.46D-01 <3dh|9d2>=-6.8D-04 9d2 0.8799256 0.0155521 0.9999964** 2.62D-04 <2ph|9p3>=-1.2D-03 9p3 0.8802076 -0.0750337 1.0000010** 4.81D-04 9f1 0.8802741 0.0024059 0.9999848** 5.18D-05 < 2s|9s1>= 7.6D-09 < 1s|9s1>= 5.7D-09 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.2D-08 < 1s|9s2>=-1.6D-07 1 0.000003 2 -0.058270 3 0.117879 4 -0.007414 5 0.007663 6 0.013880 7 -0.026330 8 -0.031458 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.54D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-2.88310E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57511E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49997E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.75696E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.28112E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60661E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61966E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45451E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021559 0.0067735 0.9996001 c 5.48D-01 9p1 1353.7747009 0.00143842085.6316253** 2.08D+00 < 2s|9s1>=-1.7D-03 < 1s|9s1>=-6.2D-03 9s1 0.7409342 0.2435585 0.9999955** 4.44D-03 9d1 0.7408117 0.0134871 1.0000165** 5.49D-05 <2ph|9p2>=-1.3D-03 9p2 0.8795554 0.3165723 0.9995819** 1.28D-03 < 2s|9s2>=-6.8D-02 <3sh|9s2>= 4.0D-05 < 1s|9s2>=-1.7D-01 9s2 0.8800348 -0.4901573 1.0169346** 1.33D-01 <3dh|9d2>= 5.8D-04 9d2 0.8799016 0.0156546 1.0000065** 2.28D-04 <2ph|9p3>= 1.1D-03 9p3 0.8796149 -0.0745452 1.0000010** 4.41D-04 9f1 0.8795456 0.0024057 1.0000149** 5.03D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.5D-09 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 0.000008 2 -0.058265 3 0.117854 4 -0.007410 5 0.007664 6 0.013880 7 -0.026323 8 -0.031450 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.48D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-2.88247E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57390E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50225E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.74111E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27788E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60323E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61919E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45429E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021744 0.0067734 0.9999757 c 8.49D-03 9p1 756417.1252070 0.0000000************** 2.95D+00 < 2s|9s1>=-4.7D-05 < 1s|9s1>=-2.1D-04 9s1 0.7409982 0.2551570 0.9999991** 1.49D-04 9d1 0.7409929 0.0134885 0.9999978** 1.03D-05 <2ph|9p2>=-5.1D-06 9p2 0.8798786 0.3169840 0.9999670** 1.46D-04 < 2s|9s2>=-2.9D-04 <3sh|9s2>= 6.1D-05 < 1s|9s2>=-3.6D-03 9s2 0.8798827 -0.1338968 1.0000041** 4.82D-03 <3dh|9d2>=-1.1D-05 9d2 0.8798772 0.0156558 0.9999955** 4.31D-05 <2ph|9p3>= 4.0D-05 9p3 0.8798916 -0.0747739 0.9999955** 3.63D-05 9f1 0.8798818 0.0024061 0.9999961** 1.47D-05 < 2s|9s1>=-3.9D-10 < 1s|9s1>=-2.9D-10 < 2s|9s2>=-5.4D-09 <3sh|9s2>=-1.1D-09 < 1s|9s2>=-4.0D-09 1 0.000006 2 -0.058265 3 0.117853 4 -0.007410 5 0.007664 6 0.013880 7 -0.026323 8 -0.031450 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.49D-03 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-2.88255E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57388E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50235E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.74969E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27865E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60320E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61922E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45427E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021552 0.0067733 0.9999985 c 8.93D-03 9p1 27000.7005815 0.0000000************** 4.11D+00 < 2s|9s1>=-1.6D-05 < 1s|9s1>=-8.4D-05 9s1 0.7410023 0.2553305 1.0000009** 7.07D-05 9d1 0.7409999 0.0134882 0.9999999** 1.34D-06 <2ph|9p2>= 4.1D-05 9p2 0.8798885 0.3169361 1.0000129** 6.88D-05 < 2s|9s2>= 3.8D-04 <3sh|9s2>=-2.4D-05 < 1s|9s2>= 1.0D-03 9s2 0.8798975 -0.1262947 1.0000057** 7.63D-04 <3dh|9d2>=-4.5D-06 9d2 0.8798861 0.0156543 1.0000009** 9.40D-06 <2ph|9p3>= 2.7D-06 9p3 0.8798901 -0.0747803 1.0000002** 3.33D-06 9f1 0.8798895 0.0024060 1.0000000** 7.99D-07 < 2s|9s1>=-1.5D-10 < 1s|9s1>=-1.1D-10 < 2s|9s2>= 2.2D-09 <3sh|9s2>= 4.5D-10 < 1s|9s2>= 1.6D-09 1 0.000003 2 -0.058265 3 0.117853 4 -0.007410 5 0.007664 6 0.013880 7 -0.026323 8 -0.031450 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.93D-03 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-2.88250E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57384E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50235E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.74978E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27849E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60316E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61922E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45426E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021553 0.0067734 1.0000114 c 6.90D-05 9p1 1663.1429462 0.0000154************** 6.06D+00 < 2s|9s1>=-9.2D-06 < 1s|9s1>=-8.8D-06 9s1 0.7409995 0.2554468 1.0000004** 1.12D-05 9d1 0.7410001 0.0134880 1.0000000** 2.07D-07 <2ph|9p2>=-7.3D-06 9p2 0.8798824 0.3168921 1.0000092** 3.52D-05 < 2s|9s2>= 7.6D-05 <3sh|9s2>= 2.2D-06 < 1s|9s2>= 1.3D-04 9s2 0.8798887 -0.1280454 1.0000013** 1.31D-04 <3dh|9d2>= 4.2D-07 9d2 0.8798893 0.0156525 1.0000000** 1.92D-06 <2ph|9p3>= 6.9D-08 9p3 0.8798887 -0.0747805 1.0000000** 1.72D-07 9f1 0.8798888 0.0024060 1.0000000** 7.74D-08 < 2s|9s2>= 3.3D-10 < 1s|9s2>= 2.5D-10 1 -0.000003 2 -0.058265 3 0.117853 4 -0.007410 5 0.007664 6 0.013880 7 -0.026323 8 -0.031450 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.90D-05 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-2.88249E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57384E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50230E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.74970E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27847E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60315E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61922E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45426E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021552 0.0067735 1.0000086 c 5.38D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0004011************** 4.06D+00 < 2s|9s1>=-3.7D-06 < 1s|9s1>=-6.5D-07 9s1 0.7409998 0.2554692 1.0000001** 2.42D-06 9d1 0.7410001 0.0134881 1.0000000** 9.67D-08 <2ph|9p2>=-5.9D-06 9p2 0.8798866 0.3169019 0.9999973** 8.99D-06 < 2s|9s2>= 5.1D-05 <3sh|9s2>= 3.3D-06 < 1s|9s2>= 7.5D-05 9s2 0.8798886 -0.1281697 1.0000007** 7.16D-05 <3dh|9d2>= 3.2D-07 9d2 0.8798893 0.0156531 1.0000000** 8.15D-07 <2ph|9p3>=-3.2D-07 9p3 0.8798888 -0.0747808 1.0000000** 2.23D-07 9f1 0.8798889 0.0024060 1.0000000** 5.45D-08 < 2s|9s2>= 2.1D-10 < 1s|9s2>= 1.5D-10 1 -0.000158 2 -0.058265 3 0.117853 4 -0.007410 5 0.007664 6 0.013880 7 -0.026323 8 -0.031450 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.38D-05 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-2.88254E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57384E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50234E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.74691E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27855E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60325E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61922E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45427E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0022839 0.0067737 1.0000370 c 5.63D-02 9p1 14503.1758676 0.0000000************** 1.58D+00 < 2s|9s1>= 2.3D-04 < 1s|9s1>= 4.6D-04 9s1 0.7409917 0.2565250 0.9999982** 3.83D-04 9d1 0.7409947 0.0134886 0.9999996** 1.81D-05 <2ph|9p2>=-3.1D-05 9p2 0.8799422 0.3169324 0.9999880** 5.37D-05 < 2s|9s2>= 4.6D-03 <3sh|9s2>=-7.3D-06 < 1s|9s2>= 8.7D-03 9s2 0.8798876 -0.1079295 1.0001098** 7.41D-03 <3dh|9d2>= 7.4D-05 9d2 0.8799023 0.0156532 0.9999983** 9.45D-05 <2ph|9p3>= 2.1D-05 9p3 0.8798585 -0.0748013 1.0000000** 4.60D-05 9f1 0.8798679 0.0024061 1.0000015** 3.66D-05 < 2s|9s1>= 1.1D-09 < 1s|9s1>= 8.2D-10 < 2s|9s2>= 2.5D-08 <3sh|9s2>= 5.1D-09 < 1s|9s2>= 1.9D-08 1 -0.000104 2 -0.058265 3 0.117853 4 -0.007410 5 0.007664 6 0.013880 7 -0.026323 8 -0.031450 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.63D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-2.88255E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57393E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50222E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.74957E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27907E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60358E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61923E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45429E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021836 0.0067747 1.0001502 c 4.59D-02 9p1 1762.4044203 0.0000000************** 2.96D+00 < 2s|9s1>= 3.4D-04 < 1s|9s1>= 1.9D-03 9s1 0.7410116 0.2588556 1.0000162** 1.28D-03 9d1 0.7410689 0.0134876 0.9999940** 3.59D-05 <2ph|9p2>= 7.4D-05 9p2 0.8798519 0.3166739 1.0000771** 2.61D-04 < 2s|9s2>= 1.5D-02 <3sh|9s2>= 3.2D-05 < 1s|9s2>= 4.1D-02 9s2 0.8798700 -0.0439776 1.0011762** 3.12D-02 <3dh|9d2>=-1.8D-04 9d2 0.8799085 0.0156404 1.0000002** 1.46D-04 <2ph|9p3>=-3.8D-04 9p3 0.8799659 -0.0748645 1.0000006** 1.55D-04 9f1 0.8800020 0.0024062 0.9999934** 5.25D-05 < 2s|9s1>= 3.3D-09 < 1s|9s1>= 2.5D-09 < 2s|9s2>= 2.6D-07 <3sh|9s2>= 5.2D-08 < 1s|9s2>= 1.9D-07 1 0.000007 2 -0.058266 3 0.117862 4 -0.007411 5 0.007664 6 0.013880 7 -0.026325 8 -0.031453 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.59D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-2.88274E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57442E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50185E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.75122E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27895E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60397E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61931E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45442E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021548 0.0067736 0.9998376 c 1.34D-02 9p1 192.9698025 0.00147465476.8536694** 2.96D+00 < 2s|9s1>=-6.7D-04 < 1s|9s1>=-2.5D-03 9s1 0.7409869 0.2507656 0.9999931** 1.76D-03 9d1 0.7409332 0.0134878 1.0000073** 2.38D-05 <2ph|9p2>=-2.3D-04 9p2 0.8798001 0.3168393 0.9999377** 1.95D-04 < 2s|9s2>=-1.8D-02 <3sh|9s2>= 2.1D-05 < 1s|9s2>=-4.5D-02 9s2 0.8799256 -0.2231216 1.0009315** 3.48D-02 <3dh|9d2>= 1.5D-04 9d2 0.8798831 0.0156539 1.0000014** 7.42D-05 <2ph|9p3>= 3.7D-04 9p3 0.8798158 -0.0747035 1.0000004** 1.48D-04 9f1 0.8797765 0.0024059 1.0000064** 2.37D-05 < 2s|9s1>=-4.9D-09 < 1s|9s1>=-3.7D-09 < 2s|9s2>=-5.5D-08 <3sh|9s2>=-1.1D-08 < 1s|9s2>=-4.1D-08 1 0.000378 2 -0.058264 3 0.117851 4 -0.007409 5 0.007663 6 0.013879 7 -0.026322 8 -0.031449 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.34D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-2.88282E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57387E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50242E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.72216E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27873E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60395E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61922E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45437E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0033344 0.0067762 1.0003755 c 3.54D-01 9p1 18711.2841526 0.0000000************** 4.00D+00 < 2s|9s1>= 7.4D-04 < 1s|9s1>= 5.1D-03 9s1 0.7410371 0.2641113 1.0000642** 3.27D-03 9d1 0.7412106 0.0134827 0.9999849** 5.46D-05 <2ph|9p2>= 6.9D-04 9p2 0.8798178 0.3160669 1.0003091** 1.07D-03 < 2s|9s2>= 7.3D-02 <3sh|9s2>= 3.4D-04 < 1s|9s2>= 1.9D-01 9s2 0.8796770 0.2703146 1.0221722** 1.46D-01 <3dh|9d2>=-6.8D-04 9d2 0.8799324 0.0155927 0.9999995** 2.49D-04 <2ph|9p3>=-1.2D-03 9p3 0.8802106 -0.0750400 1.0000043** 5.02D-04 9f1 0.8802783 0.0024062 0.9999879** 4.02D-05 < 2s|9s1>= 8.4D-09 < 1s|9s1>= 6.2D-09 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.3D-08 < 1s|9s2>=-1.6D-07 1 -0.000003 2 -0.058270 3 0.117879 4 -0.007414 5 0.007663 6 0.013880 7 -0.026330 8 -0.031459 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.54D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-2.88312E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57510E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50063E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.75712E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.28124E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60667E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61967E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45449E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0021559 0.0067736 0.9996240 c 5.47D-01 9p1 1000.9386117 -0.00155072171.8056937** 4.00D+00 < 2s|9s1>=-1.7D-03 < 1s|9s1>=-6.3D-03 9s1 0.7409325 0.2434630 0.9999953** 4.48D-03 9d1 0.7408089 0.0134869 1.0000170** 5.52D-05 <2ph|9p2>=-1.3D-03 9p2 0.8795504 0.3165632 0.9997034** 8.97D-04 < 2s|9s2>=-6.9D-02 <3sh|9s2>= 2.1D-05 < 1s|9s2>=-1.8D-01 9s2 0.8800364 -0.4955409 1.0174738** 1.35D-01 <3dh|9d2>= 5.9D-04 9d2 0.8799021 0.0156544 1.0000064** 2.31D-04 <2ph|9p3>= 1.1D-03 9p3 0.8796093 -0.0745416 1.0000011** 4.47D-04 9f1 0.8795398 0.0024057 1.0000151** 5.12D-05 < 2s|9s1>=-1.3D-08 < 1s|9s1>=-9.6D-09 < 2s|9s2>=-9.0D-08 <3sh|9s2>=-1.8D-08 < 1s|9s2>=-6.7D-08 1 -0.000378 2 -0.058265 3 0.117852 4 -0.007410 5 0.007663 6 0.013880 7 -0.026322 8 -0.031449 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.47D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-2.88277E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.57387E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50241E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.71602E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.27822E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.60400E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.61920E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45437E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 kpc 0.0033323 0.0067761 1.0003607 c 3.53D-01 9p1 18689.6223619 0.0000000************** 2.92D+00 < 2s|9s1>= 2.0D-03 < 1s|9s1>= 6.8D-03 9s1 0.7410984 0.2688033 1.0000426** 4.91D-03 9d1 0.7412043 0.0134982 0.9999830** 5.47D-05 <2ph|9p2>= 1.5D-03 9p2 0.8805346 0.3179896 0.9997933** 1.11D-03 < 2s|9s2>= 6.1D-02 <3sh|9s2>= 1.2D-04 < 1s|9s2>= 1.6D-01 9s2 0.8797799 0.2116706 1.0164048** 1.23D-01 <3dh|9d2>=-6.9D-04 9d2 0.8799369 0.0156986 0.9999926** 2.69D-04 <2ph|9p3>=-1.2D-03 9p3 0.8802154 -0.0750526 0.9999996** 4.72D-04 9f1 0.8802719 0.0024070 0.9999852** 4.99D-05 < 2s|9s1>= 1.3D-08 < 1s|9s1>= 9.5D-09 < 2s|9s2>=-2.3D-07 <3sh|9s2>=-4.6D-08 < 1s|9s2>=-1.7D-07 1 -0.000004 2 -0.058270 3 0.117879 4 -0.007410 5 0.007663 6 0.013880 7 -0.026330 8 -0.031459 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.53D-01 *** CALCULATIONS FOR k^2 = 0.0080 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.000004 2 -0.058193 3 0.117737 4 -0.007406 5 0.007653 6 0.013865 7 -0.026305 8 -0.031436 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-2.88767E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.58124E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50564E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.75396E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 7.29505E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 8.61751E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.62168E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.45762E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 72points in CSOLVE. End of range: 179.02044192166 au. in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0025368 0.0062198 0.9179007 c 3.14D-01 9p1 889.3056644 -0.00138081975.9947188** 2.92D+00 < 2s|9s1>=-2.2D-01 < 1s|9s1>=-8.0D-01 9s1 0.7264311 -1.3941390 1.7975468** 6.05D-01 9d1 0.7002439 0.0126548 1.0060027** 1.26D-02 <2ph|9p2>=-2.7D-01 9p2 0.8070412 0.2366579 1.0409879** 1.13D-01 < 2s|9s2>=-3.4D-01 <3sh|9s2>=-8.7D-04 < 1s|9s2>=-9.4D-01 9s2 0.9151788 -1.9305732 30.4097138** 6.80D-01 <3dh|9d2>= 1.2D-01 9d2 0.8795674 0.0145494 1.0154951** 4.39D-02 <2ph|9p3>= 2.5D-01 9p3 0.8212308 -0.0178428 1.0316488** 9.76D-02 9f1 0.8064755 0.0022874 1.0032778** 7.58D-03 < 2s|9s1>= 3.5D-07 < 1s|9s1>= 2.6D-07 < 2s|9s2>= 2.4D-06 <3sh|9s2>= 5.0D-07 < 1s|9s2>= 1.8D-06 1 -0.000404 2 -0.057207 3 0.112514 4 -0.006990 5 0.004566 6 0.013974 7 -0.024878 8 -0.029550 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.14D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-2.77136E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.31126E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.55945E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.24407E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.14831E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.37046E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.51406E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.41647E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0041333 0.0061735 0.9925636 c 3.86D-01 9p1 18771.6717703 0.0000000************** 4.24D+00 < 2s|9s1>=-3.7D-03 < 1s|9s1>=-2.5D-02 9s1 0.7421052 0.2060380 1.0011781** 2.36D-02 9d1 0.7415700 0.0129500 0.9993857** 2.47D-03 <2ph|9p2>= 9.9D-03 9p2 0.8780377 0.3228442 0.9970637** 1.51D-02 < 2s|9s2>= 9.0D-02 <3sh|9s2>= 1.2D-02 < 1s|9s2>= 7.4D-03 9s2 0.8708650 0.0442070 1.7723986** 3.52D-01 <3dh|9d2>=-3.9D-03 9d2 0.8784107 0.0139035 0.9996859** 4.27D-03 <2ph|9p3>= 6.7D-03 9p3 0.8822345 -0.0722088 0.9992389** 6.91D-03 9f1 0.8802634 0.0023604 0.9991507** 3.44D-03 < 2s|9s1>=-5.3D-08 < 1s|9s1>=-3.9D-08 < 2s|9s2>=-6.1D-07 <3sh|9s2>=-1.2D-07 < 1s|9s2>=-4.5D-07 1 0.000002 2 -0.057255 3 0.112406 4 -0.007052 5 0.007949 6 0.013929 7 -0.024913 8 -0.029529 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.86D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-2.74824E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.30057E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51491E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.51646E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.73972E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87043E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52325E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40841E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032255 0.0061701 0.9994404 c 2.81D-01 9p1 1405.1218256 0.0000446************** 4.24D+00 < 2s|9s1>=-3.2D-04 < 1s|9s1>=-2.5D-03 9s1 0.7423574 0.2397197 1.0001128** 2.86D-03 9d1 0.7421941 0.0129507 0.9999911** 1.83D-04 <2ph|9p2>= 3.4D-03 9p2 0.8808371 0.3107868 1.0025118** 9.58D-03 < 2s|9s2>= 5.3D-02 <3sh|9s2>=-1.8D-03 < 1s|9s2>= 1.4D-01 9s2 0.8821639 0.1670272 1.0124312** 1.11D-01 <3dh|9d2>=-4.5D-04 9d2 0.8812643 0.0139638 0.9999128** 1.06D-03 <2ph|9p3>=-3.6D-04 9p3 0.8810379 -0.0733666 0.9999500** 6.47D-04 9f1 0.8810225 0.0023568 0.9999742** 2.15D-04 < 2s|9s1>=-4.2D-09 < 1s|9s1>=-3.1D-09 < 2s|9s2>=-2.4D-07 <3sh|9s2>=-4.9D-08 < 1s|9s2>=-1.8D-07 1 0.000006 2 -0.057279 3 0.112418 4 -0.007066 5 0.007958 6 0.013929 7 -0.024914 8 -0.029531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.81D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-2.74334E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29797E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50689E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.50752E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71774E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86287E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52337E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40875E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032294 0.0061719 1.0002928 c 1.20D-03 9p1 59769.6567757 0.0000000************** 5.90D+00 < 2s|9s1>= 1.8D-04 < 1s|9s1>= 5.2D-04 9s1 0.7421685 0.2450455 0.9999949** 4.36D-04 9d1 0.7420873 0.0129536 1.0000016** 1.13D-05 <2ph|9p2>=-2.2D-04 9p2 0.8808997 0.3102646 0.9999615** 1.52D-04 < 2s|9s2>=-6.1D-03 <3sh|9s2>= 6.5D-05 < 1s|9s2>=-1.3D-02 9s2 0.8814080 -0.1536191 1.0000604** 1.02D-02 <3dh|9d2>= 5.5D-05 9d2 0.8812911 0.0139840 0.9999984** 5.81D-05 <2ph|9p3>= 4.0D-05 9p3 0.8808715 -0.0732988 1.0000021** 4.37D-05 9f1 0.8808697 0.0023573 1.0000030** 1.63D-05 < 2s|9s1>= 1.1D-09 < 1s|9s1>= 8.1D-10 < 2s|9s2>=-2.5D-08 <3sh|9s2>=-5.0D-09 < 1s|9s2>=-1.8D-08 1 -0.000005 2 -0.057278 3 0.112417 4 -0.007066 5 0.007958 6 0.013929 7 -0.024913 8 -0.029531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.20D-03 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-2.74289E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29813E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50689E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.49884E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71788E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86279E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52329E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40875E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032247 0.0061723 1.0000613 c 1.47D-03 9p1 2429.8608954 0.0000000************** 2.94D+00 < 2s|9s1>= 1.1D-04 < 1s|9s1>= 3.8D-04 9s1 0.7421699 0.2447734 0.9999999** 2.86D-04 9d1 0.7420951 0.0129544 0.9999990** 5.12D-06 <2ph|9p2>=-1.0D-04 9p2 0.8808993 0.3103647 0.9999804** 8.98D-05 < 2s|9s2>=-9.1D-04 <3sh|9s2>= 3.4D-05 < 1s|9s2>=-2.6D-03 9s2 0.8814416 -0.1296621 0.9999886** 2.12D-03 <3dh|9d2>= 1.0D-05 9d2 0.8812633 0.0139885 0.9999983** 1.77D-05 <2ph|9p3>=-2.2D-05 9p3 0.8808856 -0.0733145 0.9999997** 1.01D-05 9f1 0.8808931 0.0023574 0.9999991** 3.30D-06 < 2s|9s1>= 7.4D-10 < 1s|9s1>= 5.5D-10 < 2s|9s2>=-5.2D-09 <3sh|9s2>=-1.0D-09 < 1s|9s2>=-3.9D-09 1 -0.000010 2 -0.057278 3 0.112418 4 -0.007066 5 0.007958 6 0.013929 7 -0.024913 8 -0.029531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.47D-03 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-2.74293E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29826E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50682E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.49931E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71814E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86284E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52327E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40879E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032248 0.0061723 1.0000070 c 3.70D-05 9p1 203.4022698 -0.00129463874.0022018** 2.78D+00 < 2s|9s1>= 4.6D-06 < 1s|9s1>= 5.0D-05 9s1 0.7421741 0.2441238 1.0000005** 3.14D-05 9d1 0.7420925 0.0129543 0.9999999** 3.91D-07 <2ph|9p2>=-2.6D-05 9p2 0.8808790 0.3103615 1.0000050** 2.52D-05 < 2s|9s2>= 4.9D-04 <3sh|9s2>= 3.5D-06 < 1s|9s2>= 1.0D-03 9s2 0.8814476 -0.1221891 1.0000070** 8.11D-04 <3dh|9d2>= 9.0D-07 9d2 0.8812557 0.0139878 0.9999999** 1.03D-06 <2ph|9p3>=-8.4D-06 9p3 0.8808894 -0.0733127 1.0000000** 3.55D-06 9f1 0.8808917 0.0023574 0.9999999** 5.09D-07 < 2s|9s2>= 2.4D-09 <3sh|9s2>= 4.9D-10 < 1s|9s2>= 1.8D-09 1 -0.000241 2 -0.057277 3 0.112416 4 -0.007066 5 0.007957 6 0.013929 7 -0.024912 8 -0.029530 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.70D-05 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-2.74315E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29828E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50691E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.48554E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71845E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86331E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52327E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40884E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039656 0.0061737 1.0002223 c 1.87D-01 9p1 31420.1604485 0.0000000************** 2.92D+00 < 2s|9s1>= 5.2D-04 < 1s|9s1>= 2.8D-03 9s1 0.7421846 0.2489770 1.0000241** 1.86D-03 9d1 0.7421894 0.0129526 0.9999915** 3.48D-05 <2ph|9p2>= 4.2D-04 9p2 0.8809314 0.3100520 1.0001085** 3.44D-04 < 2s|9s2>= 3.2D-02 <3sh|9s2>= 1.3D-04 < 1s|9s2>= 8.4D-02 9s2 0.8813253 0.0512207 1.0045063** 6.46D-02 <3dh|9d2>=-3.3D-04 9d2 0.8812495 0.0139654 0.9999987** 1.18D-04 <2ph|9p3>=-6.1D-04 9p3 0.8810540 -0.0734453 1.0000020** 2.57D-04 9f1 0.8810889 0.0023576 0.9999938** 1.99D-05 < 2s|9s1>= 4.9D-09 < 1s|9s1>= 3.6D-09 < 2s|9s2>=-4.5D-07 <3sh|9s2>=-9.2D-08 < 1s|9s2>=-3.4D-07 1 0.000004 2 -0.057279 3 0.112429 4 -0.007068 5 0.007957 6 0.013929 7 -0.024916 8 -0.029535 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.87D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-2.74336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29903E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50621E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.50265E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71964E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86465E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52355E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40893E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032242 0.0061725 0.9998080 c 2.30D-01 9p1 1481.9958630 0.0000042************** 6.13D-01 < 2s|9s1>=-8.3D-04 < 1s|9s1>=-3.1D-03 9s1 0.7421613 0.2381173 0.9999930** 2.21D-03 9d1 0.7420047 0.0129539 1.0000098** 3.52D-05 <2ph|9p2>=-6.0D-04 9p2 0.8807226 0.3102188 0.9998955** 3.12D-04 < 2s|9s2>=-3.2D-02 <3sh|9s2>=-3.5D-06 < 1s|9s2>=-8.1D-02 9s2 0.8815490 -0.2937029 1.0033763** 6.21D-02 <3dh|9d2>= 2.8D-04 9d2 0.8812991 0.0139893 1.0000040** 1.09D-04 <2ph|9p3>= 5.5D-04 9p3 0.8807500 -0.0731915 1.0000010** 2.21D-04 9f1 0.8807152 0.0023573 1.0000084** 2.79D-05 < 2s|9s1>=-6.2D-09 < 1s|9s1>=-4.6D-09 < 2s|9s2>=-7.1D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.3D-08 1 0.000007 2 -0.057278 3 0.112418 4 -0.007066 5 0.007958 6 0.013930 7 -0.024913 8 -0.029531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.30D-01 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-2.74294E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29830E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50678E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.49573E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71783E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86280E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52326E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40880E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032227 0.0061723 0.9999769 c 4.67D-04 9p1 5553.8738879 0.0000000************** 2.46D-01 < 2s|9s1>=-2.1D-05 < 1s|9s1>=-9.6D-05 9s1 0.7421731 0.2438988 0.9999998** 6.82D-05 9d1 0.7420871 0.0129546 0.9999989** 5.41D-06 <2ph|9p2>=-2.8D-05 9p2 0.8808773 0.3104072 0.9999848** 5.99D-05 < 2s|9s2>=-5.6D-04 <3sh|9s2>= 2.9D-05 < 1s|9s2>=-2.8D-03 9s2 0.8814465 -0.1293984 0.9999876** 3.03D-03 <3dh|9d2>= 2.9D-07 9d2 0.8812507 0.0139896 0.9999982** 2.02D-05 <2ph|9p3>= 2.4D-05 9p3 0.8808884 -0.0733062 0.9999977** 2.03D-05 9f1 0.8808845 0.0023575 0.9999980** 7.60D-06 < 2s|9s1>=-1.8D-10 < 1s|9s1>=-1.3D-10 < 2s|9s2>=-4.9D-09 <3sh|9s2>=-9.8D-10 < 1s|9s2>=-3.6D-09 1 0.000005 2 -0.057278 3 0.112418 4 -0.007066 5 0.007958 6 0.013929 7 -0.024913 8 -0.029531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.67D-04 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-2.74298E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29830E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50683E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.49943E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71827E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86286E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52326E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40879E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032247 0.0061723 0.9999992 c 6.16D-04 9p1 322.0880833 0.00131734489.5534827** 2.96D+00 < 2s|9s1>=-7.3D-06 < 1s|9s1>=-1.6D-05 9s1 0.7421769 0.2440050 1.0000008** 2.10D-05 9d1 0.7420926 0.0129543 0.9999999** 8.73D-07 <2ph|9p2>= 2.5D-05 9p2 0.8808828 0.3103716 1.0000110** 3.76D-05 < 2s|9s2>= 9.7D-04 <3sh|9s2>=-9.6D-06 < 1s|9s2>= 2.4D-03 9s2 0.8814523 -0.1194293 1.0000167** 1.84D-03 <3dh|9d2>=-6.5D-06 9d2 0.8812540 0.0139877 1.0000004** 4.58D-06 <2ph|9p3>=-7.4D-06 9p3 0.8808927 -0.0733124 1.0000001** 3.67D-06 9f1 0.8808929 0.0023574 0.9999999** 5.92D-07 < 2s|9s2>= 5.5D-09 <3sh|9s2>= 1.1D-09 < 1s|9s2>= 4.1D-09 1 0.000241 2 -0.057277 3 0.112416 4 -0.007066 5 0.007957 6 0.013929 7 -0.024912 8 -0.029530 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.16D-04 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-2.74315E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29828E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50691E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.48560E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71845E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86331E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52327E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40884E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039656 0.0061737 1.0002210 c 1.87D-01 9p1 31422.7594574 0.0000000************** 2.86D+00 < 2s|9s1>= 9.9D-04 < 1s|9s1>= 3.5D-03 9s1 0.7422075 0.2508146 1.0000156** 2.51D-03 9d1 0.7421899 0.0129594 0.9999912** 3.48D-05 <2ph|9p2>= 7.6D-04 9p2 0.8812198 0.3108707 0.9999119** 5.09D-04 < 2s|9s2>= 2.8D-02 <3sh|9s2>= 3.4D-05 < 1s|9s2>= 7.6D-02 9s2 0.8813622 0.0336485 1.0037394** 5.83D-02 <3dh|9d2>=-3.4D-04 9d2 0.8812537 0.0140086 0.9999977** 1.20D-04 <2ph|9p3>=-6.2D-04 9p3 0.8810571 -0.0734529 1.0000016** 2.57D-04 9f1 0.8810900 0.0023579 0.9999938** 1.96D-05 < 2s|9s1>= 6.7D-09 < 1s|9s1>= 5.0D-09 < 2s|9s2>=-6.2D-07 <3sh|9s2>=-1.3D-07 < 1s|9s2>=-4.6D-07 1 0.000003 2 -0.057279 3 0.112429 4 -0.007066 5 0.007957 6 0.013929 7 -0.024916 8 -0.029535 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.87D-01 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-2.74341E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29904E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50725E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.50255E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71990E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86465E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52355E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40891E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032240 0.0061726 0.9998226 c 2.30D-01 9p1 1654.8876299 0.0000096************** 3.90D+00 < 2s|9s1>=-8.5D-04 < 1s|9s1>=-3.2D-03 9s1 0.7421614 0.2379879 0.9999940** 2.26D-03 9d1 0.7420036 0.0129535 1.0000103** 3.53D-05 <2ph|9p2>=-5.6D-04 9p2 0.8807150 0.3102156 1.0000976** 4.95D-04 < 2s|9s2>=-3.2D-02 <3sh|9s2>=-5.6D-05 < 1s|9s2>=-8.1D-02 9s2 0.8815477 -0.2938996 1.0033836** 6.22D-02 <3dh|9d2>= 2.9D-04 9d2 0.8812973 0.0139887 1.0000050** 1.12D-04 <2ph|9p3>= 5.6D-04 9p3 0.8807469 -0.0731896 1.0000015** 2.23D-04 9f1 0.8807129 0.0023573 1.0000084** 2.82D-05 < 2s|9s1>=-6.3D-09 < 1s|9s1>=-4.7D-09 < 2s|9s2>=-7.1D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.3D-08 1 -0.000001 2 -0.057278 3 0.112418 4 -0.007066 5 0.007958 6 0.013929 7 -0.024913 8 -0.029531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.30D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-2.74296E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29829E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50682E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.49584E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71786E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86280E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52326E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40880E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032227 0.0061725 0.9999865 c 4.25D-04 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0003405************** 3.04D+00 < 2s|9s1>=-8.6D-06 < 1s|9s1>=-6.1D-05 9s1 0.7421732 0.2439663 0.9999999** 4.33D-05 9d1 0.7420876 0.0129545 0.9999987** 5.99D-06 <2ph|9p2>=-2.5D-05 9p2 0.8808816 0.3103962 0.9999847** 6.03D-05 < 2s|9s2>=-5.4D-04 <3sh|9s2>= 3.0D-05 < 1s|9s2>=-2.7D-03 9s2 0.8814468 -0.1292879 0.9999876** 2.99D-03 <3dh|9d2>=-9.1D-08 9d2 0.8812511 0.0139888 0.9999983** 2.03D-05 <2ph|9p3>= 2.2D-05 9p3 0.8808887 -0.0733065 0.9999976** 1.95D-05 9f1 0.8808851 0.0023575 0.9999979** 7.91D-06 < 2s|9s1>=-1.0D-10 < 2s|9s2>=-4.8D-09 <3sh|9s2>=-9.6D-10 < 1s|9s2>=-3.5D-09 1 -0.000109 2 -0.057278 3 0.112417 4 -0.007066 5 0.007958 6 0.013929 7 -0.024913 8 -0.029531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.25D-04 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-2.74300E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29829E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50685E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.49777E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71831E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86292E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52326E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40880E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0033140 0.0061726 1.0000132 c 2.76D-02 9p1 22436.5085409 0.0000000************** 1.54D+00 < 2s|9s1>= 1.3D-04 < 1s|9s1>= 2.7D-04 9s1 0.7421700 0.2446506 0.9999997** 2.18D-04 9d1 0.7420886 0.0129546 0.9999995** 1.02D-05 <2ph|9p2>= 3.8D-06 9p2 0.8809209 0.3103885 1.0000004** 5.67D-05 < 2s|9s2>= 2.9D-03 <3sh|9s2>=-9.9D-06 < 1s|9s2>= 5.8D-03 9s2 0.8814453 -0.1110686 1.0000588** 4.86D-03 <3dh|9d2>= 3.2D-05 9d2 0.8812578 0.0139880 0.9999990** 5.42D-05 <2ph|9p3>= 4.4D-06 9p3 0.8808755 -0.0733241 1.0000002** 2.73D-05 9f1 0.8808810 0.0023575 1.0000008** 2.32D-05 < 2s|9s1>= 6.4D-10 < 1s|9s1>= 4.8D-10 < 2s|9s2>= 1.6D-08 <3sh|9s2>= 3.2D-09 < 1s|9s2>= 1.2D-08 1 -0.000049 2 -0.057277 3 0.112418 4 -0.007066 5 0.007958 6 0.013929 7 -0.024913 8 -0.029531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.76D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-2.74295E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29836E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50680E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.50033E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71855E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86313E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52329E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40880E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032342 0.0061729 1.0000552 c 2.47D-02 9p1 2964.9073803 0.0000000************** 3.76D+00 < 2s|9s1>= 3.1D-04 < 1s|9s1>= 9.3D-04 9s1 0.7421946 0.2459395 1.0000002** 7.04D-04 9d1 0.7421170 0.0129573 0.9999978** 1.82D-05 <2ph|9p2>= 1.8D-04 9p2 0.8810059 0.3106585 0.9999430** 2.51D-04 < 2s|9s2>= 3.3D-03 <3sh|9s2>=-3.5D-05 < 1s|9s2>= 1.0D-02 9s2 0.8814764 -0.1038204 1.0001135** 7.72D-03 <3dh|9d2>=-5.8D-05 9d2 0.8812747 0.0140033 1.0000000** 6.88D-05 <2ph|9p3>=-1.3D-04 9p3 0.8809170 -0.0733433 0.9999998** 5.44D-05 9f1 0.8809287 0.0023577 0.9999971** 2.97D-05 < 2s|9s1>= 1.9D-09 < 1s|9s1>= 1.4D-09 < 2s|9s2>= 2.6D-08 <3sh|9s2>= 5.2D-09 < 1s|9s2>= 1.9D-08 1 -0.000003 2 -0.057278 3 0.112421 4 -0.007066 5 0.007958 6 0.013929 7 -0.024914 8 -0.029532 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.47D-02 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-2.74306E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29851E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50711E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.49993E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71848E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86315E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52330E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40885E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032245 0.0061725 0.9999359 c 3.01D-03 9p1 714.2754176 -0.00134803734.5158269** 3.76D+00 < 2s|9s1>=-2.5D-04 < 1s|9s1>=-9.1D-04 9s1 0.7421708 0.2422995 0.9999972** 6.52D-04 9d1 0.7420664 0.0129542 1.0000029** 9.26D-06 <2ph|9p2>=-6.8D-05 9p2 0.8808538 0.3103461 1.0000664** 2.48D-04 < 2s|9s2>=-6.0D-03 <3sh|9s2>=-1.5D-05 < 1s|9s2>=-1.6D-02 9s2 0.8814622 -0.1569441 1.0000534** 1.19D-02 <3dh|9d2>= 5.7D-05 9d2 0.8812532 0.0139883 1.0000008** 2.80D-05 <2ph|9p3>= 1.4D-04 9p3 0.8808611 -0.0732813 1.0000004** 5.55D-05 9f1 0.8808470 0.0023574 1.0000024** 9.15D-06 < 2s|9s1>=-1.8D-09 < 1s|9s1>=-1.3D-09 < 2s|9s2>=-2.7D-08 <3sh|9s2>=-5.4D-09 < 1s|9s2>=-2.0D-08 1 -0.000241 2 -0.057277 3 0.112417 4 -0.007066 5 0.007957 6 0.013929 7 -0.024912 8 -0.029530 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.01D-03 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-2.74315E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29830E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50689E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.48474E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71837E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86328E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52327E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40885E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039652 0.0061738 1.0002024 c 1.87D-01 9p1 31418.5203742 0.0000000************** 2.94D+00 < 2s|9s1>= 4.9D-04 < 1s|9s1>= 2.7D-03 9s1 0.7421826 0.2488306 1.0000248** 1.80D-03 9d1 0.7421888 0.0129523 0.9999910** 3.49D-05 <2ph|9p2>= 4.0D-04 9p2 0.8809104 0.3100061 1.0001188** 3.87D-04 < 2s|9s2>= 3.2D-02 <3sh|9s2>= 1.4D-04 < 1s|9s2>= 8.4D-02 9s2 0.8813212 0.0519799 1.0045318** 6.47D-02 <3dh|9d2>=-3.3D-04 9d2 0.8812480 0.0139631 0.9999985** 1.19D-04 <2ph|9p3>=-6.1D-04 9p3 0.8810540 -0.0734441 1.0000015** 2.53D-04 9f1 0.8810880 0.0023576 0.9999932** 2.18D-05 < 2s|9s1>= 4.7D-09 < 1s|9s1>= 3.5D-09 < 2s|9s2>=-4.5D-07 <3sh|9s2>=-9.1D-08 < 1s|9s2>=-3.3D-07 1 0.000004 2 -0.057279 3 0.112429 4 -0.007068 5 0.007957 6 0.013929 7 -0.024916 8 -0.029535 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.87D-01 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-2.74336E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29904E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50613E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.50262E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71964E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86464E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52354E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40893E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032242 0.0061725 0.9997953 c 2.30D-01 9p1 1423.5165295 0.0000157************** 4.03D-01 < 2s|9s1>=-8.3D-04 < 1s|9s1>=-3.1D-03 9s1 0.7421617 0.2381030 0.9999930** 2.22D-03 9d1 0.7420049 0.0129539 1.0000098** 3.52D-05 <2ph|9p2>=-6.0D-04 9p2 0.8807224 0.3102202 0.9998833** 3.40D-04 < 2s|9s2>=-3.1D-02 <3sh|9s2>=-1.7D-06 < 1s|9s2>=-8.1D-02 9s2 0.8815491 -0.2927219 1.0033346** 6.17D-02 <3dh|9d2>= 2.8D-04 9d2 0.8812989 0.0139896 1.0000040** 1.09D-04 <2ph|9p3>= 5.5D-04 9p3 0.8807508 -0.0731920 1.0000010** 2.21D-04 9f1 0.8807160 0.0023573 1.0000084** 2.79D-05 < 2s|9s1>=-6.2D-09 < 1s|9s1>=-4.6D-09 < 2s|9s2>=-7.1D-08 <3sh|9s2>=-1.4D-08 < 1s|9s2>=-5.3D-08 1 0.000006 2 -0.057278 3 0.112418 4 -0.007066 5 0.007958 6 0.013930 7 -0.024913 8 -0.029531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.30D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-2.74294E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29831E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50678E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.49574E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71784E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86280E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52326E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40880E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032229 0.0061724 0.9999732 c 4.18D-04 9p1 20920.4947734 0.0000000************** 5.92D+00 < 2s|9s1>=-4.5D-05 < 1s|9s1>=-1.5D-04 9s1 0.7421724 0.2437828 1.0000001** 1.10D-04 9d1 0.7420866 0.0129543 0.9999990** 5.12D-06 <2ph|9p2>=-3.8D-05 9p2 0.8808655 0.3103750 0.9999929** 5.63D-05 < 2s|9s2>=-4.2D-04 <3sh|9s2>= 3.2D-05 < 1s|9s2>=-2.6D-03 9s2 0.8814454 -0.1288127 0.9999887** 2.82D-03 <3dh|9d2>= 5.4D-07 9d2 0.8812502 0.0139879 0.9999983** 1.93D-05 <2ph|9p3>= 2.6D-05 9p3 0.8808882 -0.0733055 0.9999977** 2.11D-05 9f1 0.8808839 0.0023575 0.9999980** 7.45D-06 < 2s|9s1>=-2.9D-10 < 1s|9s1>=-2.2D-10 < 2s|9s2>=-4.3D-09 <3sh|9s2>=-8.7D-10 < 1s|9s2>=-3.2D-09 1 -0.000005 2 -0.057278 3 0.112418 4 -0.007066 5 0.007958 6 0.013929 7 -0.024913 8 -0.029531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.18D-04 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-2.74298E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.29830E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50678E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.49942E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.71826E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.86286E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52326E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.40880E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0032247 0.0061723 0.9999964 c 5.69D-04 9p1 878.3817534 -0.00135431607.6134350** 2.95D+00 < 2s|9s1>=-7.6D-06 < 1s|9s1>=-1.6D-05 9s1 0.7421768 0.2440044 1.0000008** 2.13D-05 9d1 0.7420926 0.0129543 0.9999999** 8.66D-07 <2ph|9p2>= 2.2D-05 9p2 0.8808826 0.3103712 1.0000030** 3.23D-05 < 2s|9s2>= 9.7D-04 <3sh|9s2>=-7.4D-06 < 1s|9s2>= 2.4D-03 9s2 0.8814520 -0.1194423 1.0000167** 1.84D-03 <3dh|9d2>=-6.7D-06 9d2 0.8812540 0.0139877 1.0000003** 4.20D-06 <2ph|9p3>=-7.3D-06 9p3 0.8808928 -0.0733125 1.0000000** 3.58D-06 9f1 0.8808929 0.0023574 0.9999999** 6.13D-07 < 2s|9s2>= 5.4D-09 <3sh|9s2>= 1.1D-09 < 1s|9s2>= 4.1D-09 1 -0.000242 2 -0.057277 3 0.112416 4 -0.007066 5 0.007957 6 0.013929 7 -0.024912 8 -0.029530 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.69D-04 *** CALCULATIONS FOR k^2 = 0.0070 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.000243 2 -0.057202 3 0.112280 4 -0.007062 5 0.007948 6 0.013914 7 -0.024889 8 -0.029509 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-2.74734E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.30403E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50937E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.48294E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.73011E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.87287E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.52517E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.41196E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 71points in CSOLVE. End of range: 190.56626845863 au. in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0040501 0.0056030 0.9077661 c 2.04D-01 9p1 26859.5822726 0.0000000************** 2.95D+00 < 2s|9s1>=-2.3D-01 < 1s|9s1>=-8.2D-01 9s1 0.7222417 -1.4471442 1.9073281** 6.20D-01 9d1 0.6956101 0.0120572 1.0068930** 1.36D-02 <2ph|9p2>=-3.4D-01 9p2 0.7944869 0.2100643 1.0632342** 1.38D-01 < 2s|9s2>=-3.5D-01 <3sh|9s2>=-7.6D-04 < 1s|9s2>=-9.4D-01 9s2 0.9087733 -1.9329229 35.2096534** 6.83D-01 <3dh|9d2>= 1.4D-01 9d2 0.8762417 0.0130332 1.0179228** 4.79D-02 <2ph|9p3>= 2.8D-01 9p3 0.8115228 -0.0081803 1.0417586** 1.10D-01 9f1 0.7963228 0.0022269 1.0037498** 8.46D-03 < 2s|9s1>= 3.3D-07 < 1s|9s1>= 2.5D-07 < 2s|9s2>= 2.9D-06 <3sh|9s2>= 5.8D-07 < 1s|9s2>= 2.1D-06 1 -0.000005 2 -0.055889 3 0.106605 4 -0.006572 5 0.004096 6 0.013970 7 -0.023295 8 -0.027465 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.04D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-2.62800E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.03062E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.57653E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.34190E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.20895E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.43352E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.41296E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36920E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0036717 0.0055544 0.9913226 c 1.03D-01 9p1 1087.7463835 -0.00114751566.2644400** 3.00D+00 < 2s|9s1>=-5.1D-03 < 1s|9s1>=-3.5D-02 9s1 0.7427590 0.1782082 1.0015230** 3.01D-02 9d1 0.7420900 0.0123842 0.9993528** 2.70D-03 <2ph|9p2>= 8.3D-03 9p2 0.8784901 0.3191942 0.9963794** 1.69D-02 < 2s|9s2>=-5.5D-02 <3sh|9s2>= 1.2D-02 < 1s|9s2>=-3.4D-01 9s2 0.8669017 -0.6939636 2.1721987** 6.21D-01 <3dh|9d2>=-2.9D-03 9d2 0.8789286 0.0123776 0.9996953** 4.82D-03 <2ph|9p3>= 9.9D-03 9p3 0.8827070 -0.0700478 0.9991357** 8.98D-03 9f1 0.8804241 0.0023096 0.9990286** 4.01D-03 < 2s|9s1>=-7.9D-08 < 1s|9s1>=-5.9D-08 < 2s|9s2>=-9.7D-08 <3sh|9s2>=-2.0D-08 < 1s|9s2>=-7.2D-08 1 -0.000085 2 -0.055929 3 0.106449 4 -0.006641 5 0.008203 6 0.013921 7 -0.023317 8 -0.027427 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.03D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-2.60054E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01769E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.52153E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25610E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.18401E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.15106E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42165E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36059E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0042860 0.0055551 1.0001204 c 1.43D-01 9p1 93742.3896722 0.0000000************** 3.72D+00 < 2s|9s1>= 1.6D-03 < 1s|9s1>= 4.9D-03 9s1 0.7432321 0.2416141 1.0001492** 3.90D-03 9d1 0.7433211 0.0123791 0.9999660** 2.32D-04 <2ph|9p2>= 4.9D-03 9p2 0.8822112 0.3046977 1.0032837** 1.09D-02 < 2s|9s2>= 1.1D-01 <3sh|9s2>=-1.6D-03 < 1s|9s2>= 3.0D-01 9s2 0.8823951 0.5038891 1.0564757** 2.29D-01 <3dh|9d2>=-1.1D-03 9d2 0.8818964 0.0123681 0.9998944** 1.39D-03 <2ph|9p3>=-1.7D-03 9p3 0.8823839 -0.0721581 0.9999276** 9.86D-04 9f1 0.8824416 0.0023066 0.9999438** 3.14D-04 < 2s|9s1>= 9.7D-09 < 1s|9s1>= 7.2D-09 < 2s|9s2>=-1.8D-07 <3sh|9s2>=-3.6D-08 < 1s|9s2>=-1.3D-07 1 0.000000 2 -0.055955 3 0.106486 4 -0.006660 5 0.008210 6 0.013920 7 -0.023323 8 -0.027438 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.43D-01 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-2.59635E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01688E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50976E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.27577E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16807E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14920E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42221E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36137E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039953 0.0055572 1.0003779 c 7.28D-02 9p1 4112.7716738 0.0000000************** 3.45D+00 < 2s|9s1>=-5.6D-06 < 1s|9s1>=-2.3D-04 9s1 0.7429775 0.2314335 0.9999925** 1.52D-04 9d1 0.7429674 0.0123815 1.0000059** 1.99D-05 <2ph|9p2>=-5.0D-04 9p2 0.8818582 0.3037267 0.9999771** 4.34D-04 < 2s|9s2>=-1.9D-02 <3sh|9s2>=-1.5D-05 < 1s|9s2>=-4.3D-02 9s2 0.8818775 -0.2133227 1.0010117** 3.27D-02 <3dh|9d2>= 1.8D-04 9d2 0.8819287 0.0123952 1.0000029** 1.25D-04 <2ph|9p3>= 2.1D-04 9p3 0.8818067 -0.0717647 1.0000073** 1.25D-04 9f1 0.8818068 0.0023067 1.0000096** 4.09D-05 < 2s|9s1>=-3.4D-10 < 1s|9s1>=-2.5D-10 < 2s|9s2>=-5.3D-08 <3sh|9s2>=-1.1D-08 < 1s|9s2>=-4.0D-08 1 -0.000005 2 -0.055954 3 0.106482 4 -0.006660 5 0.008211 6 0.013921 7 -0.023322 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.28D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-2.59562E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01689E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50969E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25747E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16611E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14776E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42204E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36136E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039864 0.0055578 1.0001090 c 2.23D-03 9p1 266.7495372 -0.00114906391.6334653** 2.95D+00 < 2s|9s1>= 1.2D-04 < 1s|9s1>= 4.5D-04 9s1 0.7429880 0.2327801 0.9999989** 3.52D-04 9d1 0.7430000 0.0123830 0.9999986** 9.21D-06 <2ph|9p2>=-2.2D-04 9p2 0.8818929 0.3039331 0.9999661** 1.99D-04 < 2s|9s2>=-2.8D-03 <3sh|9s2>= 6.7D-05 < 1s|9s2>=-8.0D-03 9s2 0.8818708 -0.1356502 0.9999914** 6.54D-03 <3dh|9d2>= 2.9D-05 9d2 0.8818961 0.0124014 0.9999968** 3.88D-05 <2ph|9p3>=-3.2D-06 9p3 0.8818751 -0.0718166 0.9999984** 6.17D-06 9f1 0.8818836 0.0023070 0.9999983** 6.03D-06 < 2s|9s1>= 8.8D-10 < 1s|9s1>= 6.6D-10 < 2s|9s2>=-1.5D-08 <3sh|9s2>=-3.0D-09 < 1s|9s2>=-1.1D-08 1 -0.000130 2 -0.055953 3 0.106481 4 -0.006660 5 0.008210 6 0.013921 7 -0.023321 8 -0.027435 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.23D-03 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-2.59580E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01709E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50967E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25261E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16682E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14801E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42201E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36144E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0044480 0.0055588 1.0001857 c 1.04D-01 9p1 61616.5052176 0.0000000************** 3.13D+00 < 2s|9s1>= 8.1D-04 < 1s|9s1>= 2.7D-03 9s1 0.7430515 0.2371773 1.0000092** 1.95D-03 9d1 0.7430858 0.0123888 0.9999945** 1.97D-05 <2ph|9p2>= 7.6D-04 9p2 0.8822159 0.3046231 0.9998983** 5.17D-04 < 2s|9s2>= 2.3D-02 <3sh|9s2>=-5.4D-07 < 1s|9s2>= 6.3D-02 9s2 0.8818851 0.0115474 1.0026228** 4.83D-02 <3dh|9d2>=-2.6D-04 9d2 0.8819213 0.0124278 0.9999998** 8.96D-05 <2ph|9p3>=-5.0D-04 9p3 0.8820268 -0.0719319 1.0000014** 2.08D-04 9f1 0.8820515 0.0023075 0.9999956** 1.47D-05 < 2s|9s1>= 5.2D-09 < 1s|9s1>= 3.9D-09 < 2s|9s2>=-1.4D-06 <3sh|9s2>=-2.9D-07 < 1s|9s2>=-1.1D-06 1 -0.000005 2 -0.055956 3 0.106491 4 -0.006660 5 0.008211 6 0.013921 7 -0.023324 8 -0.027439 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.04D-01 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-2.59598E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01750E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51008E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.26213E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16742E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14833E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42217E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36149E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039873 0.0055581 0.9998758 c 1.16D-01 9p1 1707.0799152 0.0000000************** 3.13D+00 < 2s|9s1>=-6.0D-04 < 1s|9s1>=-2.2D-03 9s1 0.7429632 0.2276645 0.9999948** 1.58D-03 9d1 0.7429241 0.0123822 1.0000062** 1.99D-05 <2ph|9p2>=-5.5D-04 9p2 0.8817284 0.3037825 1.0001212** 5.35D-04 < 2s|9s2>=-2.5D-02 <3sh|9s2>=-5.4D-05 < 1s|9s2>=-6.5D-02 9s2 0.8818473 -0.2557711 1.0021247** 4.99D-02 <3dh|9d2>= 2.3D-04 9d2 0.8818791 0.0124007 1.0000019** 8.71D-05 <2ph|9p3>= 4.5D-04 9p3 0.8817658 -0.0717198 1.0000009** 1.78D-04 9f1 0.8817445 0.0023068 1.0000059** 2.05D-05 < 2s|9s1>=-4.4D-09 < 1s|9s1>=-3.3D-09 < 2s|9s2>=-6.4D-08 <3sh|9s2>=-1.3D-08 < 1s|9s2>=-4.8D-08 1 0.000006 2 -0.055953 3 0.106482 4 -0.006660 5 0.008211 6 0.013921 7 -0.023322 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.16D-01 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-2.59569E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01712E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50952E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25648E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16639E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14778E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42200E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36143E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039855 0.0055581 0.9999868 c 4.49D-04 9p1 164.3850462 0.00112638429.9398393** 2.96D+00 < 2s|9s1>=-5.9D-06 < 1s|9s1>=-2.5D-05 9s1 0.7429967 0.2318766 0.9999998** 1.71D-05 9d1 0.7429971 0.0123832 0.9999990** 5.11D-06 <2ph|9p2>=-5.1D-05 9p2 0.8818759 0.3039702 0.9999818** 6.30D-05 < 2s|9s2>=-4.1D-04 <3sh|9s2>= 3.0D-05 < 1s|9s2>=-2.3D-03 9s2 0.8818820 -0.1234845 0.9999883** 2.42D-03 <3dh|9d2>= 2.6D-06 9d2 0.8818852 0.0124021 0.9999985** 1.93D-05 <2ph|9p3>= 1.7D-05 9p3 0.8818866 -0.0718144 0.9999980** 1.53D-05 9f1 0.8818846 0.0023070 0.9999982** 6.82D-06 < 2s|9s2>=-3.9D-09 <3sh|9s2>=-7.9D-10 < 1s|9s2>=-2.9D-09 1 0.000130 2 -0.055953 3 0.106481 4 -0.006660 5 0.008210 6 0.013921 7 -0.023321 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.49D-04 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-2.59583E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01713E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50961E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25287E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16691E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14804E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42201E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36146E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0044479 0.0055590 1.0001597 c 1.04D-01 9p1 61638.1196697 0.0000000************** 2.96D+00 < 2s|9s1>= 3.5D-04 < 1s|9s1>= 1.9D-03 9s1 0.7430325 0.2352766 1.0000169** 1.27D-03 9d1 0.7430842 0.0123813 0.9999949** 1.98D-05 <2ph|9p2>= 4.6D-04 9p2 0.8819283 0.3037185 1.0000963** 2.77D-04 < 2s|9s2>= 2.7D-02 <3sh|9s2>= 7.9D-05 < 1s|9s2>= 7.0D-02 9s2 0.8818560 0.0276321 1.0032181** 5.42D-02 <3dh|9d2>=-2.5D-04 9d2 0.8819168 0.0123831 1.0000009** 8.68D-05 <2ph|9p3>=-4.9D-04 9p3 0.8820246 -0.0719231 1.0000020** 2.05D-04 9f1 0.8820487 0.0023071 0.9999958** 1.40D-05 < 2s|9s1>= 3.4D-09 < 1s|9s1>= 2.5D-09 < 2s|9s2>=-6.8D-07 <3sh|9s2>=-1.4D-07 < 1s|9s2>=-5.1D-07 1 -0.000006 2 -0.055956 3 0.106491 4 -0.006661 5 0.008211 6 0.013921 7 -0.023324 8 -0.027439 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.04D-01 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-2.59594E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01751E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50903E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.26227E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16741E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14859E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42216E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36150E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039874 0.0055581 0.9998521 c 1.15D-01 9p1 1980.7551199 0.0000000************** 4.33D-02 < 2s|9s1>=-5.8D-04 < 1s|9s1>=-2.2D-03 9s1 0.7429636 0.2277717 0.9999936** 1.54D-03 9d1 0.7429246 0.0123827 1.0000059** 1.98D-05 <2ph|9p2>=-5.9D-04 9p2 0.8817412 0.3038062 0.9999135** 3.02D-04 < 2s|9s2>=-2.6D-02 <3sh|9s2>=-9.8D-06 < 1s|9s2>=-6.5D-02 9s2 0.8818816 -0.2562384 1.0021408** 5.00D-02 <3dh|9d2>= 2.2D-04 9d2 0.8818805 0.0124024 1.0000012** 8.50D-05 <2ph|9p3>= 4.4D-04 9p3 0.8817685 -0.0717213 1.0000004** 1.78D-04 9f1 0.8817458 0.0023069 1.0000059** 2.04D-05 < 2s|9s1>=-4.3D-09 < 1s|9s1>=-3.2D-09 < 2s|9s2>=-6.4D-08 <3sh|9s2>=-1.3D-08 < 1s|9s2>=-4.8D-08 1 -0.000006 2 -0.055953 3 0.106482 4 -0.006660 5 0.008211 6 0.013921 7 -0.023322 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.15D-01 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-2.59569E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01713E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50954E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25645E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16643E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14780E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42200E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36144E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039854 0.0055580 0.9999836 c 5.02D-04 9p1 193.5084199 -0.00113457161.8986850** 2.96D+00 < 2s|9s1>=-2.7D-05 < 1s|9s1>=-9.8D-05 9s1 0.7429971 0.2317355 0.9999996** 6.94D-05 9d1 0.7429958 0.0123832 0.9999992** 4.08D-06 <2ph|9p2>=-4.3D-05 9p2 0.8818730 0.3039708 0.9999900** 5.83D-05 < 2s|9s2>=-4.9D-04 <3sh|9s2>= 2.6D-05 < 1s|9s2>=-2.5D-03 9s2 0.8818830 -0.1239429 0.9999877** 2.58D-03 <3dh|9d2>= 3.5D-06 9d2 0.8818842 0.0124020 0.9999985** 1.80D-05 <2ph|9p3>= 2.3D-05 9p3 0.8818860 -0.0718131 0.9999980** 1.80D-05 9f1 0.8818829 0.0023070 0.9999984** 6.33D-06 < 2s|9s1>=-1.9D-10 < 1s|9s1>=-1.4D-10 < 2s|9s2>=-4.3D-09 <3sh|9s2>=-8.8D-10 < 1s|9s2>=-3.2D-09 1 -0.000130 2 -0.055953 3 0.106481 4 -0.006660 5 0.008210 6 0.013921 7 -0.023321 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.02D-04 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-2.59583E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01713E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50961E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25287E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16691E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14804E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42201E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36146E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0044478 0.0055589 1.0001615 c 1.04D-01 9p1 61640.3493133 0.0000000************** 3.15D+00 < 2s|9s1>= 3.8D-04 < 1s|9s1>= 2.0D-03 9s1 0.7430340 0.2353768 1.0000162** 1.30D-03 9d1 0.7430841 0.0123806 0.9999949** 1.98D-05 <2ph|9p2>= 4.9D-04 9p2 0.8819300 0.3036481 1.0000940** 2.74D-04 < 2s|9s2>= 2.7D-02 <3sh|9s2>= 7.2D-05 < 1s|9s2>= 7.0D-02 9s2 0.8818580 0.0267432 1.0031837** 5.39D-02 <3dh|9d2>=-2.5D-04 9d2 0.8819169 0.0123798 1.0000008** 8.70D-05 <2ph|9p3>=-4.9D-04 9p3 0.8820248 -0.0719235 1.0000020** 2.04D-04 9f1 0.8820487 0.0023070 0.9999958** 1.41D-05 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-7.0D-07 <3sh|9s2>=-1.4D-07 < 1s|9s2>=-5.2D-07 1 0.000004 2 -0.055956 3 0.106491 4 -0.006661 5 0.008211 6 0.013921 7 -0.023324 8 -0.027439 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.04D-01 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-2.59595E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01751E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50905E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.26228E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16743E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14859E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42216E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36150E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039874 0.0055581 0.9998550 c 1.15D-01 9p1 1978.5316797 0.0000000************** 3.15D+00 < 2s|9s1>=-5.9D-04 < 1s|9s1>=-2.2D-03 9s1 0.7429632 0.2277249 0.9999939** 1.55D-03 9d1 0.7429245 0.0123825 1.0000059** 1.98D-05 <2ph|9p2>=-5.9D-04 9p2 0.8817341 0.3037804 0.9999223** 2.96D-04 < 2s|9s2>=-2.6D-02 <3sh|9s2>=-1.0D-05 < 1s|9s2>=-6.5D-02 9s2 0.8818803 -0.2559067 1.0021309** 4.99D-02 <3dh|9d2>= 2.2D-04 9d2 0.8818803 0.0124010 1.0000013** 8.52D-05 <2ph|9p3>= 4.4D-04 9p3 0.8817683 -0.0717209 1.0000004** 1.78D-04 9f1 0.8817457 0.0023069 1.0000059** 2.04D-05 < 2s|9s1>=-4.3D-09 < 1s|9s1>=-3.2D-09 < 2s|9s2>=-6.4D-08 <3sh|9s2>=-1.3D-08 < 1s|9s2>=-4.8D-08 1 -0.000006 2 -0.055953 3 0.106482 4 -0.006660 5 0.008211 6 0.013921 7 -0.023322 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.15D-01 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-2.59569E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01713E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50951E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25644E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16641E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14779E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42200E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36144E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039854 0.0055580 0.9999830 c 4.95D-04 9p1 193.4431746 -0.00113447076.3607386** 2.96D+00 < 2s|9s1>=-2.5D-05 < 1s|9s1>=-8.8D-05 9s1 0.7429970 0.2317542 0.9999996** 6.21D-05 9d1 0.7429960 0.0123832 0.9999992** 4.23D-06 <2ph|9p2>=-4.6D-05 9p2 0.8818734 0.3039704 0.9999833** 6.28D-05 < 2s|9s2>=-4.7D-04 <3sh|9s2>= 2.8D-05 < 1s|9s2>=-2.4D-03 9s2 0.8818826 -0.1238156 0.9999879** 2.54D-03 <3dh|9d2>= 3.2D-06 9d2 0.8818844 0.0124020 0.9999985** 1.85D-05 <2ph|9p3>= 2.2D-05 9p3 0.8818862 -0.0718133 0.9999980** 1.75D-05 9f1 0.8818832 0.0023070 0.9999983** 6.39D-06 < 2s|9s1>=-1.7D-10 < 1s|9s1>=-1.3D-10 < 2s|9s2>=-4.2D-09 <3sh|9s2>=-8.5D-10 < 1s|9s2>=-3.1D-09 1 -0.000130 2 -0.055953 3 0.106481 4 -0.006660 5 0.008210 6 0.013921 7 -0.023321 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.95D-04 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-2.59583E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01713E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50961E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25287E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16691E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14804E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42201E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36146E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0044478 0.0055589 1.0001615 c 1.04D-01 9p1 61640.5937952 0.0000000************** 2.94D+00 < 2s|9s1>= 4.1D-04 < 1s|9s1>= 2.0D-03 9s1 0.7430351 0.2354819 1.0000158** 1.34D-03 9d1 0.7430841 0.0123821 0.9999949** 1.98D-05 <2ph|9p2>= 5.1D-04 9p2 0.8819618 0.3038165 1.0000726** 2.56D-04 < 2s|9s2>= 2.7D-02 <3sh|9s2>= 6.7D-05 < 1s|9s2>= 6.9D-02 9s2 0.8818601 0.0256741 1.0031428** 5.35D-02 <3dh|9d2>=-2.5D-04 9d2 0.8819171 0.0123879 1.0000008** 8.71D-05 <2ph|9p3>=-4.9D-04 9p3 0.8820250 -0.0719238 1.0000020** 2.04D-04 9f1 0.8820487 0.0023071 0.9999958** 1.40D-05 < 2s|9s1>= 3.6D-09 < 1s|9s1>= 2.7D-09 < 2s|9s2>=-7.2D-07 <3sh|9s2>=-1.5D-07 < 1s|9s2>=-5.4D-07 1 0.000004 2 -0.055956 3 0.106491 4 -0.006661 5 0.008211 6 0.013921 7 -0.023324 8 -0.027439 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.04D-01 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-2.59596E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01751E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50917E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.26231E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16745E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14858E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42216E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36150E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039874 0.0055582 0.9998616 c 1.15D-01 9p1 2657.6373913 0.0000000************** 5.90D+00 < 2s|9s1>=-5.9D-04 < 1s|9s1>=-2.2D-03 9s1 0.7429633 0.2276915 0.9999940** 1.56D-03 9d1 0.7429242 0.0123824 1.0000060** 1.98D-05 <2ph|9p2>=-5.9D-04 9p2 0.8817337 0.3037809 0.9999438** 2.88D-04 < 2s|9s2>=-2.6D-02 <3sh|9s2>=-1.5D-05 < 1s|9s2>=-6.5D-02 9s2 0.8818798 -0.2559926 1.0021336** 5.00D-02 <3dh|9d2>= 2.2D-04 9d2 0.8818800 0.0124010 1.0000013** 8.55D-05 <2ph|9p3>= 4.5D-04 9p3 0.8817680 -0.0717204 1.0000005** 1.79D-04 9f1 0.8817452 0.0023069 1.0000059** 2.05D-05 < 2s|9s1>=-4.4D-09 < 1s|9s1>=-3.2D-09 < 2s|9s2>=-6.4D-08 <3sh|9s2>=-1.3D-08 < 1s|9s2>=-4.8D-08 1 -0.000005 2 -0.055953 3 0.106482 4 -0.006660 5 0.008211 6 0.013921 7 -0.023322 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.15D-01 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-2.59569E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01713E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50952E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25647E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16641E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14779E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42200E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36144E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039854 0.0055581 0.9999842 c 4.92D-04 9p1 214.9458020 -0.00113946993.3867668** 2.96D+00 < 2s|9s1>=-1.7D-05 < 1s|9s1>=-6.5D-05 9s1 0.7429970 0.2317993 0.9999997** 4.54D-05 9d1 0.7429964 0.0123832 0.9999991** 4.50D-06 <2ph|9p2>=-4.6D-05 9p2 0.8818751 0.3039709 0.9999831** 6.26D-05 < 2s|9s2>=-4.8D-04 <3sh|9s2>= 2.8D-05 < 1s|9s2>=-2.4D-03 9s2 0.8818826 -0.1238350 0.9999879** 2.55D-03 <3dh|9d2>= 3.0D-06 9d2 0.8818847 0.0124021 0.9999985** 1.89D-05 <2ph|9p3>= 2.0D-05 9p3 0.8818863 -0.0718137 0.9999980** 1.68D-05 9f1 0.8818836 0.0023070 0.9999983** 6.52D-06 < 2s|9s1>=-1.3D-10 < 2s|9s2>=-4.2D-09 <3sh|9s2>=-8.5D-10 < 1s|9s2>=-3.1D-09 1 -0.000130 2 -0.055953 3 0.106481 4 -0.006660 5 0.008210 6 0.013921 7 -0.023321 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.92D-04 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-2.59583E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01713E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50961E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25287E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16691E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14804E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42201E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36146E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0044478 0.0055590 1.0001588 c 1.04D-01 9p1 61640.4223438 0.0000000************** 2.95D+00 < 2s|9s1>= 7.3D-04 < 1s|9s1>= 2.5D-03 9s1 0.7430507 0.2367765 1.0000096** 1.80D-03 9d1 0.7430844 0.0123872 0.9999947** 1.98D-05 <2ph|9p2>= 7.5D-04 9p2 0.8821694 0.3044269 0.9999289** 4.36D-04 < 2s|9s2>= 2.4D-02 <3sh|9s2>= 1.6D-06 < 1s|9s2>= 6.4D-02 9s2 0.8818839 0.0139035 1.0027090** 4.93D-02 <3dh|9d2>=-2.6D-04 9d2 0.8819196 0.0124183 1.0000001** 8.86D-05 <2ph|9p3>=-4.9D-04 9p3 0.8820272 -0.0719295 1.0000016** 2.04D-04 9f1 0.8820495 0.0023074 0.9999958** 1.39D-05 < 2s|9s1>= 4.8D-09 < 1s|9s1>= 3.6D-09 < 2s|9s2>=-1.2D-06 <3sh|9s2>=-2.5D-07 < 1s|9s2>=-9.1D-07 1 -0.000005 2 -0.055956 3 0.106491 4 -0.006660 5 0.008211 6 0.013921 7 -0.023324 8 -0.027439 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.04D-01 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-2.59598E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01752E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50991E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.26217E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16747E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14842E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42216E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36149E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039873 0.0055582 0.9998687 c 1.16D-01 9p1 2520.7560872 0.0000000************** 3.57D-01 < 2s|9s1>=-5.9D-04 < 1s|9s1>=-2.2D-03 9s1 0.7429640 0.2276751 0.9999942** 1.58D-03 9d1 0.7429236 0.0123825 1.0000062** 1.99D-05 <2ph|9p2>=-5.4D-04 9p2 0.8817378 0.3038100 1.0000842** 4.35D-04 < 2s|9s2>=-2.6D-02 <3sh|9s2>=-5.2D-05 < 1s|9s2>=-6.6D-02 9s2 0.8818595 -0.2566675 1.0021535** 5.02D-02 <3dh|9d2>= 2.3D-04 9d2 0.8818791 0.0124022 1.0000019** 8.70D-05 <2ph|9p3>= 4.5D-04 9p3 0.8817660 -0.0717195 1.0000008** 1.79D-04 9f1 0.8817437 0.0023069 1.0000059** 2.07D-05 < 2s|9s1>=-4.4D-09 < 1s|9s1>=-3.3D-09 < 2s|9s2>=-6.4D-08 <3sh|9s2>=-1.3D-08 < 1s|9s2>=-4.8D-08 1 -0.000006 2 -0.055953 3 0.106482 4 -0.006660 5 0.008211 6 0.013921 7 -0.023322 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.16D-01 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-2.59569E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.01712E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50955E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25646E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.16640E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.14779E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42200E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36143E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 kpc 0.0039854 0.0055581 0.9999806 c 4.53D-04 9p1 209.7205772 -0.00113836683.0820898** 2.96D+00 < 2s|9s1>=-6.0D-06 < 1s|9s1>=-2.6D-05 9s1 0.7429967 0.2318753 0.9999999** 1.78D-05 9d1 0.7429971 0.0123832 0.9999990** 5.13D-06 <2ph|9p2>=-4.9D-05 9p2 0.8818759 0.3039707 0.9999884** 5.89D-05 < 2s|9s2>=-4.1D-04 <3sh|9s2>= 2.8D-05 < 1s|9s2>=-2.3D-03 9s2 0.8818823 -0.1234792 0.9999883** 2.43D-03 <3dh|9d2>= 2.7D-06 9d2 0.8818851 0.0124022 0.9999985** 1.92D-05 <2ph|9p3>= 1.7D-05 9p3 0.8818865 -0.0718145 0.9999980** 1.53D-05 9f1 0.8818846 0.0023070 0.9999982** 6.85D-06 < 2s|9s2>=-3.9D-09 <3sh|9s2>=-7.8D-10 < 1s|9s2>=-2.9D-09 1 -0.000130 2 -0.055953 3 0.106481 4 -0.006660 5 0.008210 6 0.013921 7 -0.023321 8 -0.027436 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.53D-04 *** CALCULATIONS FOR k^2 = 0.0060 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.000131 2 -0.055879 3 0.106351 4 -0.006656 5 0.008200 6 0.013906 7 -0.023299 8 -0.027415 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-2.59978E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 4.02251E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51212E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.25051E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 6.17745E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 7.15662E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.42379E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.36453E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 70points in CSOLVE. End of range: 202.85673683086 au. in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0043833 0.0049682 0.8938659 c 9.08D-02 9p1 49427.3602877 0.0000000************** 2.95D+00 < 2s|9s1>=-2.4D-01 < 1s|9s1>=-8.4D-01 9s1 0.7157427 -1.5122164 2.0790851** 6.39D-01 9d1 0.6885665 0.0113849 1.0082840** 1.50D-02 <2ph|9p2>=-4.2D-01 9p2 0.7765664 0.1741698 1.1032440** 1.69D-01 < 2s|9s2>=-3.5D-01 <3sh|9s2>=-5.7D-04 < 1s|9s2>=-9.4D-01 9s2 0.8991733 -1.9366064 42.5811984** 6.85D-01 <3dh|9d2>= 1.5D-01 9d2 0.8698856 0.0115254 1.0218799** 5.32D-02 <2ph|9p3>= 3.3D-01 9p3 0.7979625 0.0044845 1.0581420** 1.27D-01 9f1 0.7820546 0.0021592 1.0044638** 9.72D-03 < 2s|9s1>= 3.2D-07 < 1s|9s1>= 2.4D-07 < 2s|9s2>= 3.4D-06 <3sh|9s2>= 6.9D-07 < 1s|9s2>= 2.5D-06 1 0.000004 2 -0.054086 3 0.100016 4 -0.006085 5 0.003408 6 0.013858 7 -0.021499 8 -0.025172 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.08D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-2.48078E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.74485E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.58974E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 3.66792E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.35090E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.59153E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.30808E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31912E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0044582 0.0049228 0.9908541 c 1.68D-02 9p1 2030.7901417 0.0000000************** 2.68D-01 < 2s|9s1>=-3.2D-03 < 1s|9s1>=-3.0D-02 9s1 0.7440713 0.1750635 1.0016447** 2.83D-02 9d1 0.7434005 0.0117651 0.9992734** 3.14D-03 <2ph|9p2>= 1.2D-02 9p2 0.8794226 0.3151822 0.9956951** 2.06D-02 < 2s|9s2>= 1.0D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>=-1.7D-01 9s2 0.8609019 -0.3287733 2.5595534** 5.52D-01 <3dh|9d2>=-3.6D-03 9d2 0.8803651 0.0108321 0.9997390** 5.48D-03 <2ph|9p3>= 1.0D-02 9p3 0.8840926 -0.0684457 0.9989938** 1.03D-02 9f1 0.8815397 0.0022563 0.9988353** 4.91D-03 < 2s|9s1>=-6.3D-08 < 1s|9s1>=-4.7D-08 < 2s|9s2>=-7.7D-08 <3sh|9s2>=-1.6D-08 < 1s|9s2>=-5.7D-08 1 0.000005 2 -0.054152 3 0.099884 4 -0.006164 5 0.008378 6 0.013808 7 -0.021525 8 -0.025138 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.68D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-2.44612E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73106E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.52373E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.04060E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.64932E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46946E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31718E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31011E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047499 0.0049251 1.0004679 c 6.14D-02 9p1 191.3180494 0.00096398826.6499528** 2.96D+00 < 2s|9s1>= 1.8D-03 < 1s|9s1>= 5.1D-03 9s1 0.7443744 0.2291156 1.0001362** 3.96D-03 9d1 0.7443969 0.0117629 0.9999697** 2.47D-04 <2ph|9p2>= 4.5D-03 9p2 0.8831988 0.2983447 1.0036536** 1.23D-02 < 2s|9s2>= 9.1D-02 <3sh|9s2>=-1.6D-03 < 1s|9s2>= 2.4D-01 9s2 0.8838486 0.3855777 1.0357905** 1.85D-01 <3dh|9d2>=-8.6D-04 9d2 0.8833019 0.0108648 0.9998831** 1.46D-03 <2ph|9p3>=-1.5D-03 9p3 0.8832930 -0.0705842 0.9999047** 1.17D-03 9f1 0.8833531 0.0022535 0.9999369** 3.84D-04 < 2s|9s1>= 1.0D-08 < 1s|9s1>= 7.6D-09 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.5D-08 < 1s|9s2>=-1.3D-07 1 0.000036 2 -0.054174 3 0.099916 4 -0.006183 5 0.008385 6 0.013809 7 -0.021529 8 -0.025146 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.14D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-2.44159E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73060E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51051E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.04215E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63241E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46698E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31741E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31118E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0048823 0.0049282 1.0006283 c 2.71D-02 9p1 242352.0680534 0.0000000************** 2.95D+00 < 2s|9s1>= 6.5D-04 < 1s|9s1>= 2.1D-03 9s1 0.7441789 0.2230006 1.0000010** 1.62D-03 9d1 0.7441395 0.0117671 1.0000002** 8.99D-06 <2ph|9p2>=-1.2D-04 9p2 0.8830417 0.2976571 0.9999493** 2.00D-04 < 2s|9s2>= 8.1D-04 <3sh|9s2>= 4.0D-05 < 1s|9s2>= 7.4D-03 9s2 0.8833000 -0.1015693 1.0001482** 8.10D-03 <3dh|9d2>=-5.8D-06 9d2 0.8832768 0.0108932 1.0000000** 6.17D-05 <2ph|9p3>=-2.1D-04 9p3 0.8829078 -0.0703282 1.0000074** 1.42D-04 9f1 0.8829374 0.0022541 1.0000044** 2.43D-05 < 2s|9s1>= 4.2D-09 < 1s|9s1>= 3.1D-09 < 2s|9s2>= 1.4D-08 <3sh|9s2>= 2.7D-09 < 1s|9s2>= 1.0D-08 1 0.000004 2 -0.054174 3 0.099919 4 -0.006184 5 0.008385 6 0.013810 7 -0.021529 8 -0.025147 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.71D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-2.44116E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73112E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51032E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.03078E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46681E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31737E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31128E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047479 0.0049287 1.0001114 c 2.83D-02 9p1 9621.3245603 0.0000000************** 5.90D+00 < 2s|9s1>= 1.5D-05 < 1s|9s1>= 6.8D-05 9s1 0.7441633 0.2190297 0.9999980** 8.34D-05 9d1 0.7440938 0.0117668 1.0000006** 6.08D-06 <2ph|9p2>=-3.2D-04 9p2 0.8828657 0.2976063 1.0000031** 1.86D-04 < 2s|9s2>=-7.0D-03 <3sh|9s2>= 3.8D-05 < 1s|9s2>=-1.8D-02 9s2 0.8833493 -0.1512347 1.0000973** 1.39D-02 <3dh|9d2>= 7.0D-05 9d2 0.8832402 0.0108936 0.9999985** 2.16D-05 <2ph|9p3>= 6.8D-05 9p3 0.8828518 -0.0702723 1.0000000** 2.99D-05 9f1 0.8828597 0.0022542 1.0000006** 3.49D-06 < 2s|9s1>= 1.3D-10 < 2s|9s2>=-2.9D-08 <3sh|9s2>=-5.9D-09 < 1s|9s2>=-2.2D-08 1 -0.000005 2 -0.054173 3 0.099918 4 -0.006184 5 0.008386 6 0.013810 7 -0.021529 8 -0.025146 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.83D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-2.44117E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73122E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51005E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.02969E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63218E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46655E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31730E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31132E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047472 0.0049289 1.0000306 c 1.52D-04 9p1 460.1501698 -0.00098534152.6778639** 2.96D+00 < 2s|9s1>= 2.3D-05 < 1s|9s1>= 9.6D-05 9s1 0.7441758 0.2190907 1.0000003** 6.84D-05 9d1 0.7441057 0.0117671 0.9999996** 1.83D-06 <2ph|9p2>=-3.3D-05 9p2 0.8828858 0.2976840 0.9999955** 2.00D-05 < 2s|9s2>= 1.5D-04 <3sh|9s2>= 1.1D-05 < 1s|9s2>= 1.3D-05 9s2 0.8833436 -0.1133843 0.9999986** 2.76D-04 <3dh|9d2>= 3.3D-07 9d2 0.8832269 0.0108943 0.9999996** 5.78D-06 <2ph|9p3>=-9.7D-06 9p3 0.8828894 -0.0702912 0.9999994** 5.17D-06 9f1 0.8828920 0.0022542 0.9999994** 2.46D-06 < 2s|9s1>= 1.8D-10 < 1s|9s1>= 1.4D-10 < 2s|9s2>= 3.1D-10 < 1s|9s2>= 2.3D-10 1 -0.000038 2 -0.054173 3 0.099918 4 -0.006184 5 0.008385 6 0.013810 7 -0.021529 8 -0.025146 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.52D-04 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-2.44123E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73125E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51005E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.02895E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63237E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46663E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31730E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31134E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0048816 0.0049292 1.0000612 c 2.75D-02 9p1 228748.5401690 0.0000000************** 2.95D+00 < 2s|9s1>= 1.7D-04 < 1s|9s1>= 5.6D-04 9s1 0.7441854 0.2200281 1.0000011** 4.14D-04 9d1 0.7441208 0.0117684 0.9999986** 5.87D-06 <2ph|9p2>= 1.7D-04 9p2 0.8829621 0.2978213 0.9999769** 1.28D-04 < 2s|9s2>= 4.5D-03 <3sh|9s2>=-2.3D-06 < 1s|9s2>= 1.2D-02 9s2 0.8833403 -0.0880306 1.0001487** 9.47D-03 <3dh|9d2>=-5.4D-05 9d2 0.8832277 0.0108994 0.9999998** 1.84D-05 <2ph|9p3>=-1.1D-04 9p3 0.8829206 -0.0703142 1.0000002** 4.47D-05 9f1 0.8829254 0.0022543 0.9999990** 3.36D-06 < 2s|9s1>= 1.1D-09 < 1s|9s1>= 8.4D-10 < 2s|9s2>= 3.4D-08 <3sh|9s2>= 7.0D-09 < 1s|9s2>= 2.6D-08 1 -0.000004 2 -0.054173 3 0.099920 4 -0.006184 5 0.008385 6 0.013810 7 -0.021529 8 -0.025147 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.75D-02 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-2.44127E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73136E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51014E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.03105E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63260E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46687E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31734E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31135E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047474 0.0049291 0.9999774 c 2.83D-02 9p1 8418.6485091 0.0000000************** 5.91D+00 < 2s|9s1>=-1.3D-04 < 1s|9s1>=-4.6D-04 9s1 0.7441732 0.2180248 0.9999989** 3.28D-04 9d1 0.7440909 0.0117670 1.0000015** 5.85D-06 <2ph|9p2>=-1.3D-04 9p2 0.8828476 0.2976342 1.0000303** 1.45D-04 < 2s|9s2>=-4.9D-03 <3sh|9s2>=-7.9D-06 < 1s|9s2>=-1.3D-02 9s2 0.8833638 -0.1400530 1.0000298** 9.67D-03 <3dh|9d2>= 4.7D-05 9d2 0.8832326 0.0108939 1.0000005** 1.73D-05 <2ph|9p3>= 9.3D-05 9p3 0.8828632 -0.0702689 1.0000003** 3.68D-05 9f1 0.8828595 0.0022542 1.0000014** 4.70D-06 < 2s|9s1>=-9.0D-10 < 1s|9s1>=-6.7D-10 < 2s|9s2>=-2.2D-08 <3sh|9s2>=-4.5D-09 < 1s|9s2>=-1.6D-08 1 0.000005 2 -0.054173 3 0.099918 4 -0.006184 5 0.008386 6 0.013810 7 -0.021529 8 -0.025146 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.83D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-2.44118E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73126E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50998E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.02989E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63224E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46657E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31730E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31134E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047471 0.0049290 0.9999963 c 5.47D-05 9p1 401.1422652 0.00098134400.9549359** 2.96D+00 < 2s|9s1>=-3.1D-06 < 1s|9s1>=-1.6D-06 9s1 0.7441765 0.2189024 1.0000001** 2.87D-06 9d1 0.7441040 0.0117673 0.9999998** 1.11D-06 <2ph|9p2>=-2.1D-05 9p2 0.8828812 0.2976832 0.9999937** 1.90D-05 < 2s|9s2>=-5.4D-06 <3sh|9s2>= 7.9D-06 < 1s|9s2>=-3.1D-04 9s2 0.8833448 -0.1141087 0.9999975** 3.64D-04 <3dh|9d2>= 1.1D-06 9d2 0.8832262 0.0108947 0.9999997** 4.09D-06 <2ph|9p3>= 2.7D-06 9p3 0.8828890 -0.0702892 0.9999995** 2.95D-06 9f1 0.8828890 0.0022543 0.9999996** 1.51D-06 < 2s|9s2>=-4.5D-10 < 1s|9s2>=-3.4D-10 1 0.000038 2 -0.054173 3 0.099918 4 -0.006184 5 0.008385 6 0.013810 7 -0.021529 8 -0.025146 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.47D-05 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-2.44123E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73127E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51003E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.02890E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63238E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46664E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31730E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31135E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0048815 0.0049293 1.0000448 c 2.75D-02 9p1 228828.3418193 0.0000000************** 2.64D+00 < 2s|9s1>= 4.2D-05 < 1s|9s1>= 3.5D-04 9s1 0.7441798 0.2194795 1.0000036** 2.19D-04 9d1 0.7441202 0.0117663 0.9999987** 5.84D-06 <2ph|9p2>= 7.6D-05 9p2 0.8828792 0.2975652 1.0000337** 1.05D-04 < 2s|9s2>= 5.4D-03 <3sh|9s2>= 2.2D-05 < 1s|9s2>= 1.4D-02 9s2 0.8833321 -0.0840970 1.0001861** 1.09D-02 <3dh|9d2>=-5.3D-05 9d2 0.8832266 0.0108878 1.0000001** 1.77D-05 <2ph|9p3>=-1.0D-04 9p3 0.8829195 -0.0703115 1.0000004** 4.33D-05 9f1 0.8829243 0.0022542 0.9999990** 3.35D-06 < 2s|9s1>= 5.8D-10 < 1s|9s1>= 4.3D-10 < 2s|9s2>= 4.2D-08 <3sh|9s2>= 8.4D-09 < 1s|9s2>= 3.1D-08 1 -0.000005 2 -0.054173 3 0.099920 4 -0.006184 5 0.008385 6 0.013810 7 -0.021529 8 -0.025147 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.75D-02 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-2.44124E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73137E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50981E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.03102E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63252E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46686E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31734E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31136E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047474 0.0049291 0.9999575 c 2.83D-02 9p1 8477.8620211 0.0000000************** 3.76D+00 < 2s|9s1>=-1.4D-04 < 1s|9s1>=-4.6D-04 9s1 0.7441724 0.2180032 0.9999990** 3.34D-04 9d1 0.7440912 0.0117669 1.0000014** 5.83D-06 <2ph|9p2>=-1.5D-04 9p2 0.8828398 0.2976111 0.9999763** 7.91D-05 < 2s|9s2>=-4.8D-03 <3sh|9s2>= 7.8D-06 < 1s|9s2>=-1.2D-02 9s2 0.8833613 -0.1394602 1.0000280** 9.45D-03 <3dh|9d2>= 4.6D-05 9d2 0.8832329 0.0108932 1.0000003** 1.67D-05 <2ph|9p3>= 9.2D-05 9p3 0.8828640 -0.0702695 1.0000002** 3.64D-05 9f1 0.8828601 0.0022542 1.0000013** 4.58D-06 < 2s|9s1>=-9.2D-10 < 1s|9s1>=-6.9D-10 < 2s|9s2>=-2.2D-08 <3sh|9s2>=-4.4D-09 < 1s|9s2>=-1.6D-08 1 0.000002 2 -0.054173 3 0.099918 4 -0.006184 5 0.008386 6 0.013810 7 -0.021529 8 -0.025146 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.83D-02 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-2.44117E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73128E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50996E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.02986E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63225E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46658E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31730E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31134E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047471 0.0049290 0.9999922 c 5.87D-05 9p1 865.0054472 0.00100134027.6179583** 3.76D+00 < 2s|9s1>=-1.7D-05 < 1s|9s1>=-4.7D-05 9s1 0.7441771 0.2188129 0.9999999** 3.56D-05 9d1 0.7441033 0.0117672 0.9999999** 4.91D-07 <2ph|9p2>=-1.3D-05 9p2 0.8828831 0.2976849 0.9999895** 3.57D-05 < 2s|9s2>=-5.5D-05 <3sh|9s2>= 7.8D-06 < 1s|9s2>=-4.2D-04 9s2 0.8833457 -0.1143480 0.9999969** 4.41D-04 <3dh|9d2>= 8.5D-07 9d2 0.8832260 0.0108946 0.9999998** 3.28D-06 <2ph|9p3>= 6.6D-06 9p3 0.8828891 -0.0702883 0.9999995** 4.55D-06 9f1 0.8828882 0.0022542 0.9999997** 1.21D-06 < 2s|9s2>=-7.0D-10 <3sh|9s2>=-1.4D-10 < 1s|9s2>=-5.2D-10 1 0.000038 2 -0.054173 3 0.099918 4 -0.006184 5 0.008385 6 0.013810 7 -0.021529 8 -0.025146 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.87D-05 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-2.44123E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73127E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51003E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.02891E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63238E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46664E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31730E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31135E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0048801 0.0049292 1.0000462 c 2.73D-02 9p1 231179.3116223 0.0000000************** 2.95D+00 < 2s|9s1>= 1.6D-04 < 1s|9s1>= 5.1D-04 9s1 0.7441853 0.2199329 1.0000010** 3.79D-04 9d1 0.7441200 0.0117683 0.9999987** 5.78D-06 <2ph|9p2>= 1.7D-04 9p2 0.8829577 0.2978144 0.9999779** 1.24D-04 < 2s|9s2>= 4.5D-03 <3sh|9s2>=-2.0D-06 < 1s|9s2>= 1.2D-02 9s2 0.8833404 -0.0884980 1.0001442** 9.29D-03 <3dh|9d2>=-5.3D-05 9d2 0.8832272 0.0108993 0.9999999** 1.80D-05 <2ph|9p3>=-1.0D-04 9p3 0.8829200 -0.0703132 1.0000002** 4.24D-05 9f1 0.8829240 0.0022543 0.9999990** 3.26D-06 < 2s|9s1>= 1.0D-09 < 1s|9s1>= 7.7D-10 < 2s|9s2>= 3.4D-08 <3sh|9s2>= 6.8D-09 < 1s|9s2>= 2.5D-08 1 0.000004 2 -0.054173 3 0.099920 4 -0.006184 5 0.008385 6 0.013810 7 -0.021529 8 -0.025147 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.73D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-2.44127E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73137E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51013E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.03104E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63261E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46687E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31734E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31135E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047474 0.0049291 0.9999717 c 2.80D-02 9p1 9167.6039678 0.0000000************** 5.91D+00 < 2s|9s1>=-1.3D-04 < 1s|9s1>=-4.6D-04 9s1 0.7441734 0.2180084 0.9999988** 3.35D-04 9d1 0.7440908 0.0117670 1.0000015** 5.80D-06 <2ph|9p2>=-1.2D-04 9p2 0.8828481 0.2976357 1.0000285** 1.37D-04 < 2s|9s2>=-4.9D-03 <3sh|9s2>=-8.2D-06 < 1s|9s2>=-1.3D-02 9s2 0.8833639 -0.1397886 1.0000286** 9.58D-03 <3dh|9d2>= 4.6D-05 9d2 0.8832324 0.0108940 1.0000005** 1.72D-05 <2ph|9p3>= 9.3D-05 9p3 0.8828636 -0.0702690 1.0000003** 3.70D-05 9f1 0.8828595 0.0022542 1.0000014** 4.68D-06 < 2s|9s1>=-9.2D-10 < 1s|9s1>=-6.8D-10 < 2s|9s2>=-2.2D-08 <3sh|9s2>=-4.4D-09 < 1s|9s2>=-1.6D-08 1 -0.000005 2 -0.054173 3 0.099918 4 -0.006184 5 0.008386 6 0.013810 7 -0.021529 8 -0.025146 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.80D-02 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-2.44118E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73127E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50998E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.02988E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63224E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46657E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31730E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31134E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047471 0.0049291 0.9999909 c 5.11D-05 9p1 403.4376804 -0.00098154067.3644896** 2.96D+00 < 2s|9s1>=-3.7D-06 < 1s|9s1>=-1.6D-06 9s1 0.7441765 0.2189014 1.0000001** 3.21D-06 9d1 0.7441040 0.0117673 0.9999998** 1.14D-06 <2ph|9p2>=-2.2D-05 9p2 0.8828806 0.2976828 0.9999939** 1.82D-05 < 2s|9s2>= 1.3D-05 <3sh|9s2>= 8.1D-06 < 1s|9s2>=-2.7D-04 9s2 0.8833447 -0.1140189 0.9999977** 3.32D-04 <3dh|9d2>= 1.1D-06 9d2 0.8832261 0.0108947 0.9999997** 4.08D-06 <2ph|9p3>= 2.6D-06 9p3 0.8828890 -0.0702893 0.9999995** 2.87D-06 9f1 0.8828891 0.0022543 0.9999996** 1.52D-06 < 2s|9s2>=-3.6D-10 < 1s|9s2>=-2.7D-10 1 -0.000038 2 -0.054173 3 0.099918 4 -0.006184 5 0.008385 6 0.013810 7 -0.021529 8 -0.025146 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.11D-05 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-2.44123E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73128E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51003E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.02889E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63238E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46664E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31730E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31135E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0048815 0.0049293 1.0000428 c 2.75D-02 9p1 228777.9630282 0.0000000************** 2.65D+00 < 2s|9s1>= 3.1D-05 < 1s|9s1>= 3.3D-04 9s1 0.7441795 0.2194310 1.0000037** 2.01D-04 9d1 0.7441200 0.0117662 0.9999988** 5.84D-06 <2ph|9p2>= 7.1D-05 9p2 0.8828748 0.2975545 1.0000367** 1.13D-04 < 2s|9s2>= 5.5D-03 <3sh|9s2>= 2.3D-05 < 1s|9s2>= 1.4D-02 9s2 0.8833317 -0.0838663 1.0001884** 1.10D-02 <3dh|9d2>=-5.3D-05 9d2 0.8832265 0.0108873 1.0000001** 1.76D-05 <2ph|9p3>=-1.0D-04 9p3 0.8829194 -0.0703112 1.0000004** 4.30D-05 9f1 0.8829241 0.0022542 0.9999990** 3.29D-06 < 2s|9s1>= 5.3D-10 < 1s|9s1>= 3.9D-10 < 2s|9s2>= 4.2D-08 <3sh|9s2>= 8.5D-09 < 1s|9s2>= 3.1D-08 1 0.000006 2 -0.054173 3 0.099920 4 -0.006184 5 0.008385 6 0.013810 7 -0.021529 8 -0.025147 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.75D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-2.44124E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73137E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50979E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.03100E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63251E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46685E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31734E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31136E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047474 0.0049290 0.9999541 c 2.83D-02 9p1 7903.7496380 0.0000000************** 2.96D+00 < 2s|9s1>=-1.3D-04 < 1s|9s1>=-4.5D-04 9s1 0.7441727 0.2180367 0.9999989** 3.22D-04 9d1 0.7440913 0.0117671 1.0000013** 5.83D-06 <2ph|9p2>=-1.5D-04 9p2 0.8828440 0.2976267 0.9999696** 8.16D-05 < 2s|9s2>=-4.8D-03 <3sh|9s2>= 7.7D-06 < 1s|9s2>=-1.2D-02 9s2 0.8833615 -0.1396297 1.0000285** 9.51D-03 <3dh|9d2>= 4.6D-05 9d2 0.8832330 0.0108940 1.0000003** 1.66D-05 <2ph|9p3>= 9.1D-05 9p3 0.8828641 -0.0702698 1.0000002** 3.62D-05 9f1 0.8828603 0.0022542 1.0000013** 4.54D-06 < 2s|9s1>=-8.9D-10 < 1s|9s1>=-6.6D-10 < 2s|9s2>=-2.2D-08 <3sh|9s2>=-4.4D-09 < 1s|9s2>=-1.6D-08 1 -0.000004 2 -0.054173 3 0.099918 4 -0.006184 5 0.008386 6 0.013810 7 -0.021529 8 -0.025146 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.83D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-2.44118E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73128E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50997E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.02990E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.63226E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.46658E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31730E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31134E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0047471 0.0049290 0.9999953 c 5.88D-05 9p1 395.9262255 -0.00098094906.9382503** 2.96D+00 < 2s|9s1>=-2.1D-05 < 1s|9s1>=-6.4D-05 9s1 0.7441770 0.2187827 0.9999998** 4.72D-05 9d1 0.7441029 0.0117672 1.0000000** 3.12D-07 <2ph|9p2>=-1.4D-05 9p2 0.8828796 0.2976842 0.9999933** 2.29D-05 < 2s|9s2>=-6.1D-05 <3sh|9s2>= 5.9D-06 < 1s|9s2>=-4.5D-04 9s2 0.8833455 -0.1144046 0.9999968** 4.61D-04 <3dh|9d2>= 1.4D-06 9d2 0.8832256 0.0108946 0.9999998** 2.82D-06 <2ph|9p3>= 8.6D-06 9p3 0.8828887 -0.0702879 0.9999995** 5.39D-06 9f1 0.8828876 0.0022542 0.9999997** 1.12D-06 < 2s|9s1>=-1.3D-10 < 2s|9s2>=-7.6D-10 <3sh|9s2>=-1.5D-10 < 1s|9s2>=-5.6D-10 1 -0.000038 2 -0.054173 3 0.099918 4 -0.006184 5 0.008385 6 0.013810 7 -0.021529 8 -0.025146 *** CALCULATIONS FOR k^2 = 0.0050 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.000039 2 -0.054101 3 0.099796 4 -0.006180 5 0.008375 6 0.013795 7 -0.021508 8 -0.025128 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-2.44494E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.73627E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51259E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 2.02677E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.64186E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 6.47431E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.31896E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.31437E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 68points in CSOLVE. End of range: 229.86679753408 au. in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0044395 0.0043125 0.8749221 c 6.93D-02 9p1 161655.9854886 0.0000000************** 2.95D+00 < 2s|9s1>=-2.5D-01 < 1s|9s1>=-8.7D-01 9s1 0.7065680 -1.5832465 2.3367286** 6.60D-01 9d1 0.6785195 0.0106496 1.0103661** 1.68D-02 <2ph|9p2>=-5.2D-01 9p2 0.7523520 0.1291047 1.1749534** 2.06D-01 < 2s|9s2>=-3.6D-01 <3sh|9s2>=-3.2D-04 < 1s|9s2>=-9.3D-01 9s2 0.8869957 -1.9415267 54.0029249** 6.88D-01 <3dh|9d2>= 1.8D-01 9d2 0.8604883 0.0101924 1.0278930** 6.02D-02 <2ph|9p3>= 3.9D-01 9p3 0.7790636 0.0211065 1.0855202** 1.49D-01 9f1 0.7621512 0.0020835 1.0055191** 1.14D-02 < 2s|9s1>= 3.2D-07 < 1s|9s1>= 2.4D-07 < 2s|9s2>= 4.0D-06 <3sh|9s2>= 8.0D-07 < 1s|9s2>= 3.0D-06 1 -0.000004 2 -0.051711 3 0.092640 4 -0.005517 5 0.002586 6 0.013612 7 -0.019457 8 -0.022636 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.93D-02 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-2.32745E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.44844E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.59854E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 4.45071E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 1.62252E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 1.89703E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.19752E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.26525E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0048732 0.0042702 0.9901805 c 8.90D-02 9p1 5976.8384733 0.0000000************** 1.79D-01 < 2s|9s1>=-1.5D-03 < 1s|9s1>=-2.8D-02 9s1 0.7451149 0.1658023 1.0020858** 2.93D-02 9d1 0.7445179 0.0110790 0.9991730** 3.71D-03 <2ph|9p2>= 1.7D-02 9p2 0.8799775 0.3110468 0.9953395** 2.40D-02 < 2s|9s2>= 6.2D-02 <3sh|9s2>= 1.3D-02 < 1s|9s2>=-8.0D-03 9s2 0.8447413 -0.0108409 3.4321259** 5.01D-01 <3dh|9d2>=-4.2D-03 9d2 0.8813053 0.0093355 0.9997817** 6.11D-03 <2ph|9p3>= 1.2D-02 9p3 0.8854092 -0.0665274 0.9988265** 1.24D-02 9f1 0.8824103 0.0021986 0.9985781** 6.17D-03 < 2s|9s1>=-5.4D-08 < 1s|9s1>=-4.0D-08 < 2s|9s2>= 1.3D-06 <3sh|9s2>= 2.5D-07 < 1s|9s2>= 9.3D-07 1 -0.000004 2 -0.051813 3 0.092520 4 -0.005603 5 0.008456 6 0.013563 7 -0.019484 8 -0.022601 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.90D-02 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-2.27959E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43224E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.52432E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.82544E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.11144E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79915E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20667E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25589E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051346 0.0042757 1.0012841 c 5.09D-02 9p1 321.8168506 -0.00079928095.1011972** 2.95D+00 < 2s|9s1>= 2.8D-03 < 1s|9s1>= 8.3D-03 9s1 0.7452640 0.2211194 1.0001467** 5.76D-03 9d1 0.7453849 0.0110863 0.9999684** 2.75D-04 <2ph|9p2>= 3.7D-03 9p2 0.8843331 0.2919649 1.0038945** 1.32D-02 < 2s|9s2>= 7.6D-02 <3sh|9s2>=-1.3D-03 < 1s|9s2>= 2.0D-01 9s2 0.8846194 0.3170710 1.0258157** 1.59D-01 <3dh|9d2>=-7.2D-04 9d2 0.8842439 0.0094275 0.9998692** 1.58D-03 <2ph|9p3>=-1.8D-03 9p3 0.8842566 -0.0690361 0.9998783** 1.44D-03 9f1 0.8843607 0.0021975 0.9999201** 4.78D-04 < 2s|9s1>= 1.6D-08 < 1s|9s1>= 1.2D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.4D-08 < 1s|9s2>=-1.2D-07 1 0.000031 2 -0.051831 3 0.092552 4 -0.005622 5 0.008464 6 0.013565 7 -0.019486 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.09D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-2.27471E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43291E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50957E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.81951E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09516E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79624E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20662E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25744E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0050096 0.0042784 1.0006408 c 2.50D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001881************** 1.71D-01 < 2s|9s1>= 5.3D-04 < 1s|9s1>= 1.8D-03 9s1 0.7450756 0.2081278 0.9999976** 1.38D-03 9d1 0.7450700 0.0110895 1.0000018** 1.75D-05 <2ph|9p2>=-6.6D-04 9p2 0.8839637 0.2913217 0.9999487** 3.97D-04 < 2s|9s2>=-9.2D-03 <3sh|9s2>= 7.3D-05 < 1s|9s2>=-2.0D-02 9s2 0.8840729 -0.1515255 1.0002158** 1.56D-02 <3dh|9d2>= 1.1D-04 9d2 0.8841115 0.0094535 0.9999983** 1.03D-04 <2ph|9p3>=-5.7D-05 9p3 0.8838367 -0.0687084 1.0000068** 9.20D-05 9f1 0.8838758 0.0021981 1.0000052** 2.79D-05 < 2s|9s1>= 3.5D-09 < 1s|9s1>= 2.6D-09 < 2s|9s2>=-3.2D-08 <3sh|9s2>=-6.6D-09 < 1s|9s2>=-2.4D-08 1 0.000011 2 -0.051830 3 0.092553 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.50D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-2.27440E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43346E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50907E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80628E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09509E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79589E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20650E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25760E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051365 0.0042791 1.0001597 c 2.47D-02 9p1 291956.0013917 0.0000000************** 1.57D+00 < 2s|9s1>= 2.6D-04 < 1s|9s1>= 9.6D-04 9s1 0.7450969 0.2066205 1.0000014** 7.16D-04 9d1 0.7450802 0.0110908 0.9999980** 1.03D-05 <2ph|9p2>=-6.5D-05 9p2 0.8839465 0.2915462 0.9999765** 1.26D-04 < 2s|9s2>= 3.5D-03 <3sh|9s2>= 4.8D-05 < 1s|9s2>= 8.5D-03 9s2 0.8841006 -0.0885649 1.0000822** 6.51D-03 <3dh|9d2>=-1.8D-05 9d2 0.8840761 0.0094578 0.9999981** 2.71D-05 <2ph|9p3>=-1.3D-04 9p3 0.8839034 -0.0687333 0.9999995** 5.39D-05 9f1 0.8839212 0.0021984 0.9999981** 7.07D-06 < 2s|9s1>= 1.9D-09 < 1s|9s1>= 1.4D-09 < 2s|9s2>= 2.3D-08 <3sh|9s2>= 4.6D-09 < 1s|9s2>= 1.7D-08 1 0.000061 2 -0.051829 3 0.092554 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.47D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-2.27456E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43371E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50879E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80786E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09580E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79612E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20648E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25769E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051352 0.0042797 1.0001541 c 2.42D-04 9p1 11848.8714325 0.0000000************** 2.96D+00 < 2s|9s1>= 4.3D-04 < 1s|9s1>= 1.6D-03 9s1 0.7451119 0.2078293 1.0000062** 1.14D-03 9d1 0.7451063 0.0110935 0.9999957** 1.63D-05 <2ph|9p2>= 2.5D-04 9p2 0.8840031 0.2917809 0.9999582** 2.24D-04 < 2s|9s2>= 6.5D-03 <3sh|9s2>=-2.3D-05 < 1s|9s2>= 1.9D-02 9s2 0.8841176 -0.0687414 1.0002819** 1.41D-02 <3dh|9d2>=-1.1D-04 9d2 0.8840712 0.0094674 1.0000005** 4.75D-05 <2ph|9p3>=-3.0D-04 9p3 0.8839503 -0.0687745 1.0000006** 1.25D-04 9f1 0.8839789 0.0021987 0.9999960** 1.64D-05 < 2s|9s1>= 3.0D-09 < 1s|9s1>= 2.3D-09 < 2s|9s2>= 6.1D-08 <3sh|9s2>= 1.2D-08 < 1s|9s2>= 4.6D-08 1 0.000004 2 -0.051830 3 0.092559 4 -0.005622 5 0.008464 6 0.013566 7 -0.019486 8 -0.022610 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.42D-04 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-2.27474E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43407E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50903E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80812E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09586E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79641E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20656E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25780E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051239 0.0042793 0.9998974 c 2.20D-03 9p1 507.0846169 0.00080264290.0726104** 2.96D+00 < 2s|9s1>=-3.7D-04 < 1s|9s1>=-1.4D-03 9s1 0.7450901 0.2021845 0.9999961** 9.68D-04 9d1 0.7450236 0.0110904 1.0000047** 1.75D-05 <2ph|9p2>=-1.5D-04 9p2 0.8838290 0.2914906 1.0000507** 2.29D-04 < 2s|9s2>=-8.1D-03 <3sh|9s2>=-9.1D-06 < 1s|9s2>=-2.1D-02 9s2 0.8841257 -0.1505107 1.0001562** 1.61D-02 <3dh|9d2>= 8.3D-05 9d2 0.8840636 0.0094582 1.0000003** 3.79D-05 <2ph|9p3>= 2.4D-04 9p3 0.8838384 -0.0686547 1.0000009** 9.44D-05 9f1 0.8838147 0.0021984 1.0000049** 1.88D-05 < 2s|9s1>=-2.7D-09 < 1s|9s1>=-2.0D-09 < 2s|9s2>=-3.2D-08 <3sh|9s2>=-6.5D-09 < 1s|9s2>=-2.4D-08 1 -0.000029 2 -0.051829 3 0.092555 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.20D-03 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-2.27458E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43377E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50883E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80747E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09554E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79607E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20650E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25770E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0050080 0.0042791 0.9999640 c 2.31D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001881************** 1.71D-01 < 2s|9s1>=-1.2D-04 < 1s|9s1>=-4.9D-04 9s1 0.7450904 0.2038678 0.9999983** 3.42D-04 9d1 0.7450436 0.0110904 1.0000007** 4.55D-06 <2ph|9p2>=-1.4D-04 9p2 0.8838451 0.2915132 0.9999946** 6.70D-05 < 2s|9s2>=-4.8D-03 <3sh|9s2>=-3.0D-06 < 1s|9s2>=-1.3D-02 9s2 0.8841191 -0.1336261 1.0000335** 1.02D-02 <3dh|9d2>= 4.9D-05 9d2 0.8840596 0.0094579 0.9999998** 1.55D-05 <2ph|9p3>= 1.2D-04 9p3 0.8838582 -0.0686796 0.9999988** 5.34D-05 9f1 0.8838515 0.0021984 1.0000002** 1.76D-06 < 2s|9s1>=-9.3D-10 < 1s|9s1>=-6.9D-10 < 2s|9s2>=-2.2D-08 <3sh|9s2>=-4.5D-09 < 1s|9s2>=-1.6D-08 1 -0.000011 2 -0.051829 3 0.092553 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.31D-02 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-2.27454E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43367E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50886E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80672E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09546E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79592E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20647E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25768E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051360 0.0042793 1.0000389 c 2.49D-02 9p1 292333.7597420 0.0000000************** 1.57D+00 < 2s|9s1>= 1.4D-04 < 1s|9s1>= 4.8D-04 9s1 0.7451069 0.2056900 1.0000018** 3.41D-04 9d1 0.7450782 0.0110909 0.9999986** 5.19D-06 <2ph|9p2>= 1.4D-04 9p2 0.8839298 0.2915778 0.9999996** 6.11D-05 < 2s|9s2>= 5.5D-03 <3sh|9s2>= 4.9D-06 < 1s|9s2>= 1.4D-02 9s2 0.8841135 -0.0774893 1.0001773** 1.07D-02 <3dh|9d2>=-4.3D-05 9d2 0.8840705 0.0094578 0.9999997** 1.55D-05 <2ph|9p3>=-1.0D-04 9p3 0.8839165 -0.0687297 0.9999999** 4.06D-05 9f1 0.8839217 0.0021985 0.9999987** 4.98D-06 < 2s|9s1>= 9.4D-10 < 1s|9s1>= 7.0D-10 < 2s|9s2>= 4.2D-08 <3sh|9s2>= 8.6D-09 < 1s|9s2>= 3.1D-08 1 -0.000059 2 -0.051829 3 0.092555 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.49D-02 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-2.27457E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43374E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50874E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80795E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09584E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79614E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20648E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25770E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051353 0.0042799 1.0001278 c 1.38D-04 9p1 11888.9368744 0.0000000************** 2.95D+00 < 2s|9s1>= 2.3D-04 < 1s|9s1>= 1.2D-03 9s1 0.7451052 0.2069636 1.0000089** 8.26D-04 9d1 0.7451047 0.0110905 0.9999961** 1.54D-05 <2ph|9p2>= 1.2D-04 9p2 0.8838812 0.2914074 1.0000427** 1.44D-04 < 2s|9s2>= 7.7D-03 <3sh|9s2>= 9.6D-06 < 1s|9s2>= 2.1D-02 9s2 0.8841080 -0.0634503 1.0003495** 1.61D-02 <3dh|9d2>=-1.1D-04 9d2 0.8840703 0.0094515 1.0000008** 4.58D-05 <2ph|9p3>=-2.9D-04 9p3 0.8839491 -0.0687687 1.0000010** 1.20D-04 9f1 0.8839755 0.0021985 0.9999962** 1.56D-05 < 2s|9s1>= 2.2D-09 < 1s|9s1>= 1.6D-09 < 2s|9s2>= 7.6D-08 <3sh|9s2>= 1.5D-08 < 1s|9s2>= 5.6D-08 1 0.000004 2 -0.051830 3 0.092559 4 -0.005622 5 0.008464 6 0.013566 7 -0.019486 8 -0.022610 LEAST SELF-CONSISTENT FUNCTION IS 9p1 :WEIGHTED MAXIMUM CHANGE = 1.74D-04 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-2.27472E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43408E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50857E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80812E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09578E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79640E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20655E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25781E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051239 0.0042793 0.9998818 c 2.21D-03 9p1 558.4736101 0.00080474648.4658419** 2.95D+00 < 2s|9s1>=-3.6D-04 < 1s|9s1>=-1.3D-03 9s1 0.7450899 0.2022178 0.9999958** 9.52D-04 9d1 0.7450238 0.0110905 1.0000045** 1.72D-05 <2ph|9p2>=-1.7D-04 9p2 0.8838317 0.2914870 0.9999625** 1.16D-04 < 2s|9s2>=-8.2D-03 <3sh|9s2>= 8.0D-06 < 1s|9s2>=-2.1D-02 9s2 0.8841241 -0.1508951 1.0001602** 1.62D-02 <3dh|9d2>= 8.2D-05 9d2 0.8840640 0.0094584 1.0000000** 3.72D-05 <2ph|9p3>= 2.4D-04 9p3 0.8838391 -0.0686552 1.0000006** 9.47D-05 9f1 0.8838151 0.0021984 1.0000048** 1.84D-05 < 2s|9s1>=-2.6D-09 < 1s|9s1>=-2.0D-09 < 2s|9s2>=-3.2D-08 <3sh|9s2>=-6.5D-09 < 1s|9s2>=-2.4D-08 1 -0.000029 2 -0.051829 3 0.092555 4 -0.005622 5 0.008464 6 0.013566 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.21D-03 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-2.27458E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43378E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50882E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80744E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09555E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79607E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20650E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25770E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0050080 0.0042792 0.9999567 c 2.31D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001881************** 1.71D-01 < 2s|9s1>=-1.3D-04 < 1s|9s1>=-5.1D-04 9s1 0.7450905 0.2038180 0.9999982** 3.60D-04 9d1 0.7450432 0.0110904 1.0000008** 4.57D-06 <2ph|9p2>=-1.4D-04 9p2 0.8838441 0.2915135 0.9999950** 6.61D-05 < 2s|9s2>=-4.8D-03 <3sh|9s2>=-3.7D-06 < 1s|9s2>=-1.3D-02 9s2 0.8841193 -0.1336839 1.0000338** 1.02D-02 <3dh|9d2>= 4.9D-05 9d2 0.8840594 0.0094580 0.9999997** 1.53D-05 <2ph|9p3>= 1.2D-04 9p3 0.8838581 -0.0686792 0.9999988** 5.43D-05 9f1 0.8838510 0.0021984 1.0000002** 1.76D-06 < 2s|9s1>=-9.8D-10 < 1s|9s1>=-7.3D-10 < 2s|9s2>=-2.2D-08 <3sh|9s2>=-4.5D-09 < 1s|9s2>=-1.6D-08 1 -0.000011 2 -0.051829 3 0.092553 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.31D-02 ITERATION NUMBER 13 ---------------- CONVERGENCE CRITERIA = 2.3D-05 E(9s1 2s) =-2.27454E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43368E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50886E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80672E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09546E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79592E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20647E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25768E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051360 0.0042793 1.0000362 c 2.49D-02 9p1 292330.9150538 0.0000000************** 8.08D-01 < 2s|9s1>= 1.2D-04 < 1s|9s1>= 4.6D-04 9s1 0.7451069 0.2056522 1.0000020** 3.28D-04 9d1 0.7450790 0.0110909 0.9999985** 5.23D-06 <2ph|9p2>= 1.5D-04 9p2 0.8839260 0.2915766 1.0000004** 6.27D-05 < 2s|9s2>= 5.4D-03 <3sh|9s2>= 4.7D-06 < 1s|9s2>= 1.4D-02 9s2 0.8841127 -0.0779066 1.0001734** 1.05D-02 <3dh|9d2>=-4.9D-05 9d2 0.8840690 0.0094579 0.9999998** 1.84D-05 <2ph|9p3>=-1.1D-04 9p3 0.8839195 -0.0687290 0.9999999** 4.27D-05 9f1 0.8839245 0.0021985 0.9999985** 6.11D-06 < 2s|9s1>= 8.9D-10 < 1s|9s1>= 6.7D-10 < 2s|9s2>= 4.1D-08 <3sh|9s2>= 8.4D-09 < 1s|9s2>= 3.1D-08 1 0.000010 2 -0.051829 3 0.092555 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.49D-02 ITERATION NUMBER 14 ---------------- CONVERGENCE CRITERIA = 3.0D-05 E(9s1 2s) =-2.27460E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43376E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50884E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80819E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09575E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79616E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20651E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25769E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051242 0.0042793 1.0000009 c 2.30D-03 9p1 3649.5645994 0.0000000************** 2.96D+00 < 2s|9s1>=-3.2D-05 < 1s|9s1>=-8.2D-05 9s1 0.7450988 0.2045893 1.0000002** 6.43D-05 9d1 0.7450611 0.0110904 1.0000004** 1.64D-06 <2ph|9p2>=-2.3D-05 9p2 0.8838751 0.2914925 1.0000112** 4.85D-05 < 2s|9s2>=-3.3D-04 <3sh|9s2>=-4.2D-06 < 1s|9s2>=-7.7D-04 9s2 0.8841227 -0.1083859 0.9999991** 6.25D-04 <3dh|9d2>= 7.2D-06 9d2 0.8840696 0.0094564 1.0000002** 5.88D-06 <2ph|9p3>= 1.0D-05 9p3 0.8838852 -0.0687027 1.0000005** 6.24D-06 9f1 0.8838856 0.0021984 1.0000006** 3.43D-06 < 2s|9s1>=-1.8D-10 < 1s|9s1>=-1.3D-10 < 2s|9s2>=-1.7D-09 <3sh|9s2>=-3.5D-10 < 1s|9s2>=-1.3D-09 1 -0.000004 2 -0.051829 3 0.092555 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.30D-03 ITERATION NUMBER 15 ---------------- CONVERGENCE CRITERIA = 3.9D-05 E(9s1 2s) =-2.27456E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43374E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50878E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80728E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09559E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79610E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20650E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25769E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051245 0.0042793 0.9999953 c 5.28D-05 9p1 237.7389566 -0.0007824************** 2.96D+00 < 2s|9s1>= 1.4D-05 < 1s|9s1>= 6.4D-05 9s1 0.7450989 0.2048874 1.0000002** 4.52D-05 9d1 0.7450638 0.0110908 0.9999998** 8.68D-07 <2ph|9p2>=-1.1D-05 9p2 0.8838861 0.2915329 0.9999907** 3.46D-05 < 2s|9s2>= 3.5D-04 <3sh|9s2>= 5.1D-06 < 1s|9s2>= 8.4D-04 9s2 0.8841167 -0.1049237 1.0000046** 6.53D-04 <3dh|9d2>=-2.4D-06 9d2 0.8840679 0.0094581 0.9999999** 2.12D-06 <2ph|9p3>=-1.0D-05 9p3 0.8838909 -0.0687079 0.9999999** 4.09D-06 9f1 0.8838922 0.0021984 0.9999998** 6.62D-07 < 2s|9s1>= 1.2D-10 < 2s|9s2>= 1.9D-09 <3sh|9s2>= 3.9D-10 < 1s|9s2>= 1.4D-09 1 0.000030 2 -0.051829 3 0.092555 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.28D-05 ITERATION NUMBER 16 ---------------- CONVERGENCE CRITERIA = 5.1D-05 E(9s1 2s) =-2.27457E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43376E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50883E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80846E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09565E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79610E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20650E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25769E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0050076 0.0042792 0.9999675 c 2.33D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001881************** 1.71D-01 < 2s|9s1>=-1.2D-04 < 1s|9s1>=-4.7D-04 9s1 0.7450907 0.2038811 0.9999982** 3.31D-04 9d1 0.7450444 0.0110904 1.0000013** 4.71D-06 <2ph|9p2>=-1.4D-04 9p2 0.8838473 0.2915013 1.0000002** 6.11D-05 < 2s|9s2>=-4.8D-03 <3sh|9s2>=-1.1D-05 < 1s|9s2>=-1.3D-02 9s2 0.8841206 -0.1330795 1.0000326** 9.73D-03 <3dh|9d2>= 5.1D-05 9d2 0.8840611 0.0094578 1.0000000** 1.75D-05 <2ph|9p3>= 1.1D-04 9p3 0.8838576 -0.0686812 0.9999997** 4.60D-05 9f1 0.8838528 0.0021984 1.0000010** 3.47D-06 < 2s|9s1>=-9.0D-10 < 1s|9s1>=-6.7D-10 < 2s|9s2>=-2.2D-08 <3sh|9s2>=-4.4D-09 < 1s|9s2>=-1.6D-08 1 0.000011 2 -0.051829 3 0.092553 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.33D-02 ITERATION NUMBER 17 ---------------- CONVERGENCE CRITERIA = 6.7D-05 E(9s1 2s) =-2.27454E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43367E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50886E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80672E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09545E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79593E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20647E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25768E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051360 0.0042793 1.0000378 c 2.50D-02 9p1 292337.3346995 0.0000000************** 1.58D+00 < 2s|9s1>= 1.3D-04 < 1s|9s1>= 4.7D-04 9s1 0.7451065 0.2056757 1.0000016** 3.37D-04 9d1 0.7450775 0.0110909 0.9999987** 5.14D-06 <2ph|9p2>= 1.4D-04 9p2 0.8839295 0.2915760 0.9999969** 6.41D-05 < 2s|9s2>= 5.3D-03 <3sh|9s2>= 7.3D-06 < 1s|9s2>= 1.3D-02 9s2 0.8841129 -0.0786016 1.0001664** 1.03D-02 <3dh|9d2>=-4.0D-05 9d2 0.8840706 0.0094579 0.9999996** 1.49D-05 <2ph|9p3>=-9.7D-05 9p3 0.8839151 -0.0687290 0.9999999** 3.89D-05 9f1 0.8839201 0.0021985 0.9999988** 4.63D-06 < 2s|9s1>= 9.2D-10 < 1s|9s1>= 6.9D-10 < 2s|9s2>= 4.0D-08 <3sh|9s2>= 8.1D-09 < 1s|9s2>= 3.0D-08 1 0.000076 2 -0.051829 3 0.092554 4 -0.005622 5 0.008464 6 0.013566 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.50D-02 ITERATION NUMBER 18 ---------------- CONVERGENCE CRITERIA = 8.7D-05 E(9s1 2s) =-2.27460E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43373E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50869E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80780E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09589E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79614E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20646E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25771E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051389 0.0042801 1.0001726 c 5.65D-04 9p1 10852.5072470 0.0000000************** 2.95D+00 < 2s|9s1>= 5.4D-04 < 1s|9s1>= 2.0D-03 9s1 0.7451155 0.2086512 1.0000090** 1.44D-03 9d1 0.7451205 0.0110941 0.9999944** 2.13D-05 <2ph|9p2>= 3.3D-04 9p2 0.8840201 0.2918110 0.9999525** 2.63D-04 < 2s|9s2>= 8.7D-03 <3sh|9s2>=-2.7D-05 < 1s|9s2>= 2.5D-02 9s2 0.8841157 -0.0554189 1.0004736** 1.91D-02 <3dh|9d2>=-1.5D-04 9d2 0.8840706 0.0094687 1.0000008** 6.26D-05 <2ph|9p3>=-3.9D-04 9p3 0.8839725 -0.0687967 1.0000009** 1.64D-04 9f1 0.8840089 0.0021988 0.9999947** 2.10D-05 < 2s|9s1>= 3.8D-09 < 1s|9s1>= 2.9D-09 < 2s|9s2>= 1.0D-07 <3sh|9s2>= 2.1D-08 < 1s|9s2>= 7.7D-08 1 0.000004 2 -0.051830 3 0.092560 4 -0.005622 5 0.008464 6 0.013566 7 -0.019486 8 -0.022610 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.65D-04 ITERATION NUMBER 19 ---------------- CONVERGENCE CRITERIA = 1.1D-04 E(9s1 2s) =-2.27480E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43420E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50902E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80837E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09596E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79652E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20657E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25784E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0051237 0.0042794 0.9998470 c 2.97D-03 9p1 513.8288143 0.00080295102.5428288** 2.95D+00 < 2s|9s1>=-5.0D-04 < 1s|9s1>=-1.9D-03 9s1 0.7450875 0.2012080 0.9999950** 1.33D-03 9d1 0.7450094 0.0110903 1.0000065** 2.40D-05 <2ph|9p2>=-1.9D-04 9p2 0.8838104 0.2914778 1.0000551** 2.57D-04 < 2s|9s2>=-1.1D-02 <3sh|9s2>=-1.2D-05 < 1s|9s2>=-2.9D-02 9s2 0.8841296 -0.1661376 1.0003351** 2.18D-02 <3dh|9d2>= 1.1D-04 9d2 0.8840620 0.0094584 1.0000004** 5.11D-05 <2ph|9p3>= 3.3D-04 9p3 0.8838209 -0.0686362 1.0000011** 1.29D-04 9f1 0.8837877 0.0021983 1.0000067** 2.56D-05 < 2s|9s1>=-3.7D-09 < 1s|9s1>=-2.8D-09 < 2s|9s2>=-3.9D-08 <3sh|9s2>=-7.9D-09 < 1s|9s2>=-2.9D-08 1 -0.000029 2 -0.051829 3 0.092555 4 -0.005622 5 0.008464 6 0.013566 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.97D-03 ITERATION NUMBER 20 ---------------- CONVERGENCE CRITERIA = 1.5D-04 E(9s1 2s) =-2.27458E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43377E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50882E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80712E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.09551E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.79607E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20650E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.25770E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 kpc 0.0050080 0.0042792 0.9999507 c 2.31D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001881************** 1.71D-01 < 2s|9s1>=-1.2D-04 < 1s|9s1>=-5.0D-04 9s1 0.7450903 0.2038469 0.9999983** 3.52D-04 9d1 0.7450433 0.0110905 1.0000005** 4.50D-06 <2ph|9p2>=-1.4D-04 9p2 0.8838440 0.2915176 0.9999929** 7.10D-05 < 2s|9s2>=-4.8D-03 <3sh|9s2>=-6.8D-07 < 1s|9s2>=-1.3D-02 9s2 0.8841189 -0.1337513 1.0000338** 1.03D-02 <3dh|9d2>= 4.8D-05 9d2 0.8840590 0.0094582 0.9999997** 1.56D-05 <2ph|9p3>= 1.2D-04 9p3 0.8838585 -0.0686791 0.9999985** 5.62D-05 9f1 0.8838510 0.0021984 0.9999999** 1.62D-06 < 2s|9s1>=-9.5D-10 < 1s|9s1>=-7.1D-10 < 2s|9s2>=-2.2D-08 <3sh|9s2>=-4.5D-09 < 1s|9s2>=-1.7D-08 1 -0.000011 2 -0.051829 3 0.092553 4 -0.005622 5 0.008464 6 0.013565 7 -0.019485 8 -0.022608 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.31D-02 *** CALCULATIONS FOR k^2 = 0.0040 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.000011 2 -0.051760 3 0.092439 4 -0.005618 5 0.008454 6 0.013551 7 -0.019466 8 -0.022591 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-2.27799E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.43828E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.51146E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.80484E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 5.10393E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.80273E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.20800E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.26065E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 66points in CSOLVE. End of range: 260.47320603717 au. in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 kpc 0.0043781 0.0036309 0.8485063 c 1.44D-01 9p1 241552.5171119 0.0000000************** 1.58D+00 < 2s|9s1>=-2.6D-01 < 1s|9s1>=-8.9D-01 9s1 0.6925971 -1.6597800 2.7517636** 6.82D-01 9d1 0.6636646 0.0098078 1.0137215** 1.94D-02 <2ph|9p2>=-6.5D-01 9p2 0.7181562 0.0704813 1.3121643** 2.50D-01 < 2s|9s2>=-3.7D-01 <3sh|9s2>= 9.1D-05 < 1s|9s2>=-9.3D-01 9s2 0.8685454 -1.9493589 75.4744872** 6.92D-01 <3dh|9d2>= 2.1D-01 9d2 0.8450919 0.0089499 1.0374282** 6.92D-02 <2ph|9p3>= 4.7D-01 9p3 0.7523108 0.0430156 1.1336923** 1.77D-01 9f1 0.7340416 0.0019951 1.0071752** 1.39D-02 < 2s|9s1>= 3.2D-07 < 1s|9s1>= 2.4D-07 < 2s|9s2>= 4.5D-06 <3sh|9s2>= 9.2D-07 < 1s|9s2>= 3.4D-06 1 0.000058 2 -0.048541 3 0.084207 4 -0.004861 5 0.001641 6 0.013159 7 -0.017118 8 -0.019803 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.44D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-2.16956E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.13786E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.59365E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 6.55752E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 2.26678E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 2.62328E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.08051E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.20617E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 kpc 0.0050272 0.0035918 0.9892158 c 1.29D-01 9p1 9970.7426375 0.0000000************** 2.95D+00 < 2s|9s1>= 3.7D-04 < 1s|9s1>=-2.8D-02 9s1 0.7462311 0.1518702 1.0031635** 3.33D-02 9d1 0.7456743 0.0103011 0.9990518** 4.54D-03 <2ph|9p2>= 2.6D-02 9p2 0.8799119 0.3066172 0.9950568** 2.88D-02 < 2s|9s2>= 2.8D-01 <3sh|9s2>= 8.0D-03 < 1s|9s2>= 5.5D-01 9s2 0.7987510 1.1793802 7.2254525** 7.73D-01 <3dh|9d2>=-4.9D-03 9d2 0.8823504 0.0078634 0.9998511** 6.62D-03 <2ph|9p3>= 1.5D-02 9p3 0.8868162 -0.0642189 0.9986527** 1.59D-02 9f1 0.8830976 0.0021346 0.9982285** 8.05D-03 < 2s|9s1>=-5.0D-08 < 1s|9s1>=-3.7D-08 < 2s|9s2>=-1.9D-07 <3sh|9s2>=-3.9D-08 < 1s|9s2>=-1.4D-07 1 -0.000003 2 -0.048706 3 0.084097 4 -0.004943 5 0.008377 6 0.013113 7 -0.017144 8 -0.019764 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.29D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-2.09859E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.11680E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.52172E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.64772E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.57143E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.13809E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.08947E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.19637E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 kpc 0.0052565 0.0036014 1.0026728 c 4.36D-02 9p1 477.8470945 -0.00063286803.8469838** 2.95D+00 < 2s|9s1>= 4.1D-03 < 1s|9s1>= 1.3D-02 9s1 0.7461738 0.2138112 1.0001818** 8.90D-03 9d1 0.7463853 0.0103279 0.9999677** 3.25D-04 <2ph|9p2>= 2.1D-03 9p2 0.8855629 0.2851402 1.0039154** 1.37D-02 < 2s|9s2>= 4.7D-02 <3sh|9s2>=-1.0D-03 < 1s|9s2>= 1.4D-01 9s2 0.8853771 0.1879440 1.0135203** 1.18D-01 <3dh|9d2>=-4.2D-04 9d2 0.8852921 0.0080451 0.9998566** 1.73D-03 <2ph|9p3>=-1.9D-03 9p3 0.8851328 -0.0673672 0.9998494** 1.74D-03 9f1 0.8852870 0.0021368 0.9998995** 5.81D-04 < 2s|9s1>= 2.3D-08 < 1s|9s1>= 1.7D-08 < 2s|9s2>=-1.7D-07 <3sh|9s2>=-3.4D-08 < 1s|9s2>=-1.2D-07 1 0.000073 2 -0.048720 3 0.084126 4 -0.004959 5 0.008394 6 0.013117 7 -0.017143 8 -0.019768 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.36D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-2.09200E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.11886E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50686E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.59645E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.54942E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.12962E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.08903E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.19852E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 kpc 0.0049052 0.0036035 1.0005974 c 7.16D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001425************** 1.71D-01 < 2s|9s1>= 5.8D-04 < 1s|9s1>= 2.0D-03 9s1 0.7459800 0.1928470 0.9999909** 1.64D-03 9d1 0.7460010 0.0103325 1.0000038** 3.55D-05 <2ph|9p2>=-1.8D-03 9p2 0.8849181 0.2851217 0.9998326** 1.02D-03 < 2s|9s2>=-2.6D-02 <3sh|9s2>= 2.0D-04 < 1s|9s2>=-6.5D-02 9s2 0.8849192 -0.2357238 1.0022201** 4.96D-02 <3dh|9d2>= 2.9D-04 9d2 0.8850117 0.0080836 0.9999924** 1.48D-04 <2ph|9p3>= 1.4D-04 9p3 0.8847134 -0.0669939 1.0000042** 1.26D-04 9f1 0.8847768 0.0021383 1.0000042** 2.73D-05 < 2s|9s1>= 3.8D-09 < 1s|9s1>= 2.9D-09 < 2s|9s2>=-5.7D-08 <3sh|9s2>=-1.2D-08 < 1s|9s2>=-4.3D-08 1 -0.000006 2 -0.048714 3 0.084122 4 -0.004958 5 0.008394 6 0.013117 7 -0.017140 8 -0.019766 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.16D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-2.09207E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.11972E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50605E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.58412E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.55035E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.12920E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.08879E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.19883E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 kpc 0.0052162 0.0036036 1.0000331 c 5.96D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001426************** 1.81D-01 < 2s|9s1>= 3.7D-04 < 1s|9s1>= 1.5D-03 9s1 0.7460790 0.1918762 1.0000045** 1.06D-03 9d1 0.7460876 0.0103334 0.9999964** 1.57D-05 <2ph|9p2>= 2.4D-04 9p2 0.8850077 0.2856245 0.9999823** 2.14D-04 < 2s|9s2>= 1.2D-02 <3sh|9s2>= 5.5D-05 < 1s|9s2>= 3.1D-02 9s2 0.8850037 -0.0336416 1.0006838** 2.34D-02 <3dh|9d2>=-1.1D-04 9d2 0.8850068 0.0080842 0.9999989** 4.88D-05 <2ph|9p3>=-3.2D-04 9p3 0.8849644 -0.0671058 0.9999986** 1.24D-04 9f1 0.8849880 0.0021386 0.9999950** 1.82D-05 < 2s|9s1>= 2.8D-09 < 1s|9s1>= 2.1D-09 < 2s|9s2>= 2.0D-07 <3sh|9s2>= 4.1D-08 < 1s|9s2>= 1.5D-07 1 0.000006 2 -0.048716 3 0.084127 4 -0.004959 5 0.008393 6 0.013118 7 -0.017141 8 -0.019768 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.96D-02 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-2.09245E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.12004E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50578E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.58880E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.55137E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.12970E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.08885E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.19893E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 kpc 0.0052170 0.0036034 0.9999421 c 1.71D-04 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001426************** 1.81D-01 < 2s|9s1>=-2.8D-05 < 1s|9s1>=-8.0D-05 9s1 0.7460615 0.1889253 1.0000002** 6.36D-05 9d1 0.7460408 0.0103326 1.0000007** 4.20D-06 <2ph|9p2>= 6.0D-05 9p2 0.8848885 0.2855100 1.0000158** 6.76D-05 < 2s|9s2>= 6.7D-04 <3sh|9s2>=-2.1D-05 < 1s|9s2>= 2.2D-03 9s2 0.8850215 -0.0942822 1.0000173** 2.01D-03 <3dh|9d2>=-4.3D-06 9d2 0.8849894 0.0080823 1.0000008** 1.51D-05 <2ph|9p3>=-8.5D-06 9p3 0.8848924 -0.0670381 1.0000013** 8.41D-06 9f1 0.8848923 0.0021385 1.0000013** 4.82D-06 < 2s|9s1>=-1.7D-10 < 1s|9s1>=-1.2D-10 < 2s|9s2>= 4.7D-09 <3sh|9s2>= 9.4D-10 < 1s|9s2>= 3.5D-09 1 -0.000006 2 -0.048716 3 0.084127 4 -0.004959 5 0.008394 6 0.013118 7 -0.017141 8 -0.019768 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.71D-04 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-2.09245E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.12000E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50580E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.58752E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.55110E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.12964E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.08886E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.19893E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 kpc 0.0052167 0.0036033 0.9999735 c 6.78D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001426************** 1.81D-01 < 2s|9s1>=-1.6D-05 < 1s|9s1>=-5.8D-05 9s1 0.7460582 0.1889912 0.9999996** 3.96D-05 9d1 0.7460375 0.0103325 1.0000003** 8.86D-07 <2ph|9p2>=-1.1D-05 9p2 0.8848855 0.2855154 0.9999959** 1.96D-05 < 2s|9s2>=-3.5D-04 <3sh|9s2>= 1.2D-06 < 1s|9s2>=-9.0D-04 9s2 0.8850105 -0.1004517 0.9999968** 6.77D-04 <3dh|9d2>= 3.9D-06 9d2 0.8849883 0.0080825 1.0000000** 1.42D-06 <2ph|9p3>= 1.2D-05 9p3 0.8848867 -0.0670336 1.0000000** 4.86D-06 9f1 0.8848854 0.0021384 1.0000002** 9.49D-07 < 2s|9s1>=-1.1D-10 < 2s|9s2>=-1.9D-09 <3sh|9s2>=-3.9D-10 < 1s|9s2>=-1.4D-09 1 0.000006 2 -0.048716 3 0.084127 4 -0.004959 5 0.008394 6 0.013118 7 -0.017141 8 -0.019768 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 6.78D-05 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-2.09245E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.11999E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50583E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.58741E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.55110E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.12963E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.08885E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.19892E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 30.151962130172 in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 kpc 0.0052167 0.0036033 0.9999837 c 1.09D-06 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001426************** 1.81D-01 < 2s|9s1>=-5.4D-06 < 1s|9s1>=-2.0D-05 9s1 0.7460587 0.1890654 0.9999999** 1.40D-05 9d1 0.7460390 0.0103325 1.0000000** 1.98D-07 <2ph|9p2>= 1.3D-06 9p2 0.8848877 0.2855196 0.9999997** 2.66D-06 < 2s|9s2>= 6.4D-06 <3sh|9s2>=-4.6D-07 < 1s|9s2>=-1.9D-05 9s2 0.8850108 -0.0986036 0.9999999** 2.10D-05 <3dh|9d2>= 3.7D-07 9d2 0.8849884 0.0080823 1.0000000** 1.87D-07 <2ph|9p3>= 2.5D-06 9p3 0.8848888 -0.0670353 1.0000000** 1.30D-06 9f1 0.8848885 0.0021384 1.0000000** 8.13D-08 1 -0.000006 2 -0.048716 3 0.084127 4 -0.004959 5 0.008394 6 0.013118 7 -0.017141 8 -0.019768 *** CALCULATIONS FOR k^2 = 0.0030 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.000006 2 -0.048651 3 0.084023 4 -0.004955 5 0.008384 6 0.013103 7 -0.017125 8 -0.019753 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-2.09562E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 3.12417E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50848E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.58580E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.55857E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.13559E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-1.09024E+00 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.20183E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 64points in CSOLVE. End of range: 295.15481048637 au. in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 kpc 0.0041070 0.0029127 0.8083509 c 2.70D-01 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001231************** 1.61D-01 < 2s|9s1>=-2.8D-01 < 1s|9s1>=-9.2D-01 9s1 0.6698034 -1.7436396 3.5546528** 7.07D-01 9d1 0.6397542 0.0088122 1.0199519** 2.31D-02 <2ph|9p2>=-7.8D-01 9p2 0.6662036 -0.0044218 1.6102761** 3.00D-01 < 2s|9s2>=-3.8D-01 <3sh|9s2>= 7.9D-04 < 1s|9s2>=-9.2D-01 9s2 0.8392974 -1.9624909 135.2173116** 6.98D-01 <3dh|9d2>= 2.5D-01 9d2 0.8190986 0.0078783 1.0547105** 8.20D-02 <2ph|9p3>= 5.8D-01 9p3 0.7109929 0.0733139 1.2313906** 2.13D-01 9f1 0.6907560 0.0018853 1.0101619** 1.79D-02 < 2s|9s1>= 3.5D-07 < 1s|9s1>= 2.6D-07 <2ph|9p2>= 2.3D-10 < 2s|9s2>= 4.9D-06 <3sh|9s2>= 1.0D-06 < 1s|9s2>= 3.7D-06 1 0.000008 2 -0.044193 3 0.074269 4 -0.004095 5 0.000649 6 0.012393 7 -0.014394 8 -0.016578 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.70D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-2.01493E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.80625E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.55983E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.56676E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 4.86637E+00 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 5.54198E+02 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.53752E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.13961E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 kpc 0.0048179 0.0028752 0.9871314 c 1.48D-01 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001230************** 1.78D-01 < 2s|9s1>= 2.5D-03 < 1s|9s1>=-3.7D-02 9s1 0.7474407 0.1231278 1.0064976** 4.71D-02 9d1 0.7467388 0.0093801 0.9989146** 5.78D-03 <2ph|9p2>= 4.7D-02 9p2 0.8782289 0.3029136 0.9952542** 3.81D-02 < 2s|9s2>=-1.7D-02 <3sh|9s2>= 1.4D-02 < 1s|9s2>=-5.8D-02 9s2 0.5588127 -0.1930002 19.6931291** 6.38D-01 <3dh|9d2>=-5.6D-03 9d2 0.8834315 0.0063840 0.9999437** 6.56D-03 <2ph|9p3>= 2.1D-02 9p3 0.8882608 -0.0609123 0.9985870** 2.26D-02 9f1 0.8831593 0.0020600 0.9977405** 1.11D-02 < 2s|9s1>=-6.7D-08 < 1s|9s1>=-5.0D-08 < 2s|9s2>=-4.8D-08 <3sh|9s2>=-9.7D-09 < 1s|9s2>=-3.6D-08 1 -0.000018 2 -0.044503 3 0.074148 4 -0.004153 5 0.008094 6 0.012353 7 -0.014414 8 -0.016523 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.48D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-1.89133E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.77187E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.52276E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.37872E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.98310E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.44809E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.61828E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.12813E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 kpc 0.0049970 0.0028912 1.0055650 c 3.58D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001230************** 1.78D-01 < 2s|9s1>= 8.0D-03 < 1s|9s1>= 2.6D-02 9s1 0.7471007 0.2221305 1.0004466** 1.89D-02 9d1 0.7475206 0.0094550 0.9999537** 4.53D-04 <2ph|9p2>=-2.3D-03 9p2 0.8872653 0.2793383 1.0032097** 1.22D-02 < 2s|9s2>= 2.9D-02 <3sh|9s2>= 3.7D-04 < 1s|9s2>= 8.2D-02 9s2 0.8861766 0.0776864 1.0040388** 6.09D-02 <3dh|9d2>=-2.8D-04 9d2 0.8864294 0.0067325 0.9998374** 2.28D-03 <2ph|9p3>=-3.4D-03 9p3 0.8860868 -0.0658477 0.9998217** 2.20D-03 9f1 0.8865319 0.0020716 0.9998480** 7.35D-04 < 2s|9s1>= 4.0D-08 < 1s|9s1>= 3.0D-08 < 2s|9s2>=-2.1D-07 <3sh|9s2>=-4.2D-08 < 1s|9s2>=-1.6D-07 1 0.000019 2 -0.044507 3 0.074185 4 -0.004167 5 0.008097 6 0.012358 7 -0.014411 8 -0.016530 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.58D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-1.88617E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.77816E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50323E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.36881E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.98020E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.44744E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.61183E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.13187E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 kpc 0.0049715 0.0028923 1.0003871 c 5.13D-03 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001230************** 1.78D-01 < 2s|9s1>= 1.1D-03 < 1s|9s1>= 4.2D-03 9s1 0.7470530 0.1791432 1.0000107** 3.17D-03 9d1 0.7471164 0.0094559 0.9999958** 2.66D-05 <2ph|9p2>=-1.2D-03 9p2 0.8861248 0.2794002 1.0000062** 7.95D-04 < 2s|9s2>=-2.5D-03 <3sh|9s2>= 1.4D-04 < 1s|9s2>=-5.0D-03 9s2 0.8859959 -0.1003270 1.0000090** 4.08D-03 <3dh|9d2>= 7.6D-05 9d2 0.8860758 0.0067524 0.9999964** 9.04D-05 <2ph|9p3>=-4.9D-04 9p3 0.8858522 -0.0653274 1.0000080** 2.85D-04 9f1 0.8859771 0.0020727 0.9999987** 2.75D-05 < 2s|9s1>= 7.8D-09 < 1s|9s1>= 5.8D-09 < 2s|9s2>=-1.1D-08 <3sh|9s2>=-2.1D-09 < 1s|9s2>=-7.8D-09 1 -0.000018 2 -0.044504 3 0.074189 4 -0.004168 5 0.008097 6 0.012358 7 -0.014410 8 -0.016531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.13D-03 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-1.88685E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.77944E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50099E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.36429E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.98148E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.44764E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.61095E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.13243E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 kpc 0.0049663 0.0028915 0.9997234 c 1.06D-03 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001230************** 1.78D-01 < 2s|9s1>=-5.3D-05 < 1s|9s1>=-1.1D-04 9s1 0.7470863 0.1709481 0.9999981** 9.37D-05 9d1 0.7470604 0.0094545 1.0000014** 7.31D-06 <2ph|9p2>=-1.3D-04 9p2 0.8858812 0.2796090 0.9999997** 9.67D-05 < 2s|9s2>=-1.2D-03 <3sh|9s2>= 9.5D-06 < 1s|9s2>=-3.4D-03 9s2 0.8860534 -0.0957328 0.9999931** 2.59D-03 <3dh|9d2>= 2.0D-05 9d2 0.8860330 0.0067504 1.0000001** 8.62D-06 <2ph|9p3>= 1.3D-05 9p3 0.8858748 -0.0652283 0.9999997** 7.77D-06 9f1 0.8858795 0.0020726 1.0000009** 3.40D-06 < 2s|9s1>=-2.5D-10 < 1s|9s1>=-1.9D-10 < 2s|9s2>=-6.5D-09 <3sh|9s2>=-1.3D-09 < 1s|9s2>=-4.9D-09 1 0.000018 2 -0.044503 3 0.074188 4 -0.004168 5 0.008097 6 0.012358 7 -0.014410 8 -0.016531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.06D-03 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-1.88709E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.77945E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50087E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.36477E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.98157E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.44763E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.61083E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.13245E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 kpc 0.0049666 0.0028910 0.9998224 c 7.31D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001230************** 1.78D-01 < 2s|9s1>=-7.1D-05 < 1s|9s1>=-2.4D-04 9s1 0.7470931 0.1707201 0.9999994** 1.76D-04 9d1 0.7470626 0.0094538 1.0000006** 3.13D-06 <2ph|9p2>= 3.8D-05 9p2 0.8858766 0.2796386 1.0000014** 1.85D-05 < 2s|9s2>= 1.4D-04 <3sh|9s2>=-6.9D-06 < 1s|9s2>= 2.1D-04 9s2 0.8860609 -0.0884032 1.0000006** 1.82D-04 <3dh|9d2>=-3.6D-07 9d2 0.8860331 0.0067484 1.0000003** 5.35D-06 <2ph|9p3>= 2.4D-05 9p3 0.8858889 -0.0652249 0.9999998** 1.17D-05 9f1 0.8858838 0.0020725 1.0000004** 2.13D-06 < 2s|9s1>=-4.8D-10 < 1s|9s1>=-3.6D-10 < 2s|9s2>= 5.7D-10 <3sh|9s2>= 1.2D-10 < 1s|9s2>= 4.2D-10 1 -0.000018 2 -0.044503 3 0.074188 4 -0.004168 5 0.008097 6 0.012358 7 -0.014410 8 -0.016531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 7.31D-05 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-1.88713E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.77939E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50094E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.36506E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.98154E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.44763E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.61086E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.13243E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 kpc 0.0049671 0.0028908 0.9999110 c 8.99D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001230************** 1.78D-01 < 2s|9s1>=-3.3D-05 < 1s|9s1>=-1.2D-04 9s1 0.7470925 0.1709617 0.9999997** 8.54D-05 9d1 0.7470644 0.0094535 1.0000003** 1.43D-06 <2ph|9p2>= 2.2D-05 9p2 0.8858826 0.2796335 1.0000004** 9.49D-06 < 2s|9s2>= 1.1D-04 <3sh|9s2>=-4.5D-06 < 1s|9s2>= 2.1D-04 9s2 0.8860604 -0.0884601 1.0000010** 1.80D-04 <3dh|9d2>= 7.0D-08 9d2 0.8860343 0.0067476 1.0000002** 2.70D-06 <2ph|9p3>= 1.3D-05 9p3 0.8858890 -0.0652261 1.0000000** 5.93D-06 9f1 0.8858863 0.0020724 1.0000002** 1.07D-06 < 2s|9s1>=-2.3D-10 < 1s|9s1>=-1.7D-10 < 2s|9s2>= 5.1D-10 <3sh|9s2>= 1.0D-10 < 1s|9s2>= 3.8D-10 1 0.000018 2 -0.044504 3 0.074188 4 -0.004168 5 0.008097 6 0.012358 7 -0.014410 8 -0.016531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 8.99D-05 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-1.88713E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.77936E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50099E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.36511E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.98151E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.44762E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.61087E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.13242E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 kpc 0.0049673 0.0028906 0.9999543 c 4.01D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001230************** 1.78D-01 < 2s|9s1>=-1.5D-05 < 1s|9s1>=-5.6D-05 9s1 0.7470920 0.1710811 0.9999998** 4.03D-05 9d1 0.7470650 0.0094534 1.0000002** 6.99D-07 <2ph|9p2>= 8.5D-06 9p2 0.8858853 0.2796312 0.9999999** 4.22D-06 < 2s|9s2>= 5.1D-05 <3sh|9s2>=-2.5D-06 < 1s|9s2>= 8.1D-05 9s2 0.8860598 -0.0887431 1.0000005** 7.57D-05 <3dh|9d2>= 7.9D-07 9d2 0.8860347 0.0067472 1.0000001** 1.13D-06 <2ph|9p3>= 7.2D-06 9p3 0.8858886 -0.0652267 1.0000000** 3.21D-06 9f1 0.8858874 0.0020724 1.0000001** 5.25D-07 < 2s|9s1>=-1.1D-10 < 2s|9s2>= 2.1D-10 < 1s|9s2>= 1.6D-10 1 -0.000018 2 -0.044504 3 0.074188 4 -0.004168 5 0.008097 6 0.012358 7 -0.014410 8 -0.016531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.01D-05 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-1.88714E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.77934E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50101E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.36513E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.98150E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.44762E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.61088E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.13241E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 kpc 0.0049674 0.0028906 0.9999758 c 1.95D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001230************** 1.78D-01 < 2s|9s1>=-7.0D-06 < 1s|9s1>=-2.9D-05 9s1 0.7470918 0.1711350 0.9999999** 2.01D-05 9d1 0.7470654 0.0094533 1.0000001** 3.66D-07 <2ph|9p2>= 3.7D-06 9p2 0.8858866 0.2796304 1.0000000** 1.97D-06 < 2s|9s2>= 4.1D-05 <3sh|9s2>=-1.8D-06 < 1s|9s2>= 5.8D-05 9s2 0.8860596 -0.0887945 1.0000004** 5.57D-05 <3dh|9d2>= 9.5D-07 9d2 0.8860348 0.0067470 1.0000000** 5.28D-07 <2ph|9p3>= 4.4D-06 9p3 0.8858885 -0.0652270 1.0000000** 1.95D-06 9f1 0.8858879 0.0020724 1.0000001** 2.69D-07 < 2s|9s2>= 1.6D-10 < 1s|9s2>= 1.2D-10 1 0.000018 2 -0.044504 3 0.074188 4 -0.004168 5 0.008097 6 0.012358 7 -0.014410 8 -0.016531 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.95D-05 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-1.88714E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.77933E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50102E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.36515E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.98149E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.44762E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.61088E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.13241E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 34.166649244734 in WKB: r-value too small, r= 38.715885738147 in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 kpc 0.0049674 0.0028905 0.9999872 c 1.03D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001230************** 1.78D-01 < 2s|9s1>=-2.9D-06 < 1s|9s1>=-1.5D-05 9s1 0.7470916 0.1711623 0.9999999** 9.92D-06 9d1 0.7470655 0.0094533 1.0000000** 1.95D-07 <2ph|9p2>= 1.5D-06 9p2 0.8858872 0.2796301 1.0000000** 8.18D-07 < 2s|9s2>= 3.7D-05 <3sh|9s2>=-1.5D-06 < 1s|9s2>= 4.9D-05 9s2 0.8860594 -0.0888146 1.0000003** 4.84D-05 <3dh|9d2>= 1.0D-06 9d2 0.8860349 0.0067469 1.0000000** 4.13D-07 <2ph|9p3>= 3.0D-06 9p3 0.8858885 -0.0652272 1.0000000** 1.31D-06 9f1 0.8858882 0.0020724 1.0000000** 1.43D-07 < 2s|9s2>= 1.4D-10 < 1s|9s2>= 1.0D-10 1 -0.000018 2 -0.044504 3 0.074188 4 -0.004168 5 0.008097 6 0.012358 7 -0.014410 8 -0.016531 *** CALCULATIONS FOR k^2 = 0.0020 WEAK ORTHOGONALIZATION DURING THE SCF CYCLE= F ACCELERATING PARAMETER FOR MCHF ITERATION = 0.00 SCF CONVERGENCE TOLERANCE (FUNCTIONS) = 1.00D-06 NUMBER OF POINTS IN THE MAXIMUM RANGE = 220 RELATIVISTIC DIAGONAL ENERGY CORRECTIONS = F 1 -0.000018 2 -0.044445 3 0.074095 4 -0.004165 5 0.008088 6 0.012345 7 -0.014396 8 -0.016518 ITERATION NUMBER 1 ---------------- CONVERGENCE CRITERIA = 1.0D-06 E(9s1 2s) =-1.88999E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.78306E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.50371E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) = 1.36370E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) = 3.98795E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) = 4.45275E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-9.62319E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.13526E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM Outer region reduced by 61points in CSOLVE. End of range: 356.02466067078 au. in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0033438 0.0021384 0.7397943 c 4.86D-01 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001013************** 1.46D-01 < 2s|9s1>=-3.1D-01 < 1s|9s1>=-9.3D-01 9s1 0.6273644 -1.8377531 5.8140877** 7.33D-01 9d1 0.5959399 0.0075705 1.0340269** 2.92D-02 <2ph|9p2>=-9.1D-01 9p2 0.5791924 -0.0941295 2.4230599** 3.52D-01 < 2s|9s2>=-4.1D-01 <3sh|9s2>= 2.2D-03 < 1s|9s2>=-9.1D-01 9s2 0.7852815 -1.98863423311.0775950** 7.08D-01 <3dh|9d2>= 3.2D-01 9d2 0.7699201 0.0071551 1.0928205** 1.03D-01 <2ph|9p3>= 7.4D-01 9p3 0.6386200 0.1154703 1.4776763** 2.57D-01 9f1 0.6155878 0.0017317 1.0170616** 2.57D-02 < 2s|9s1>= 4.9D-07 < 1s|9s1>= 3.7D-07 < 2s|9s2>= 4.9D-06 <3sh|9s2>= 1.0D-06 < 1s|9s2>= 3.7D-06 1 0.000020 2 -0.037625 3 0.061945 4 -0.003188 5 -0.000231 6 0.011113 7 -0.011122 8 -0.012781 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.86D-01 ITERATION NUMBER 2 ---------------- CONVERGENCE CRITERIA = 1.3D-06 E(9s1 2s) =-1.92864E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.45925E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.43728E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-4.15545E+00 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-1.08105E+01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-1.19191E+03 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.08398E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.06240E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0040324 0.0021023 0.9830994 c 1.71D-01 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001013************** 1.71D-01 < 2s|9s1>= 1.0D-02 < 1s|9s1>=-6.0D-02 9s1 0.7487198 0.0781313 1.0247757** 8.81D-02 9d1 0.7476340 0.0081740 0.9987919** 8.19D-03 <2ph|9p2>= 1.2D-01 9p2 0.8696611 0.3053474 1.0008547** 7.33D-02 < 2s|9s2>= 1.8D-02 <3sh|9s2>= 1.0D-02 < 1s|9s2>=-5.2D-02 9s2 2.5307507 0.0467559 11.3166053** 5.72D-01 <3dh|9d2>=-9.4D-03 9d2 0.8834151 0.0047233 1.0001487** 7.96D-03 <2ph|9p3>= 3.3D-02 9p3 0.8910237 -0.0558588 0.9994443** 3.71D-02 9f1 0.8832545 0.0019634 0.9970495** 1.76D-02 < 2s|9s1>=-1.2D-07 < 1s|9s1>=-9.1D-08 < 2s|9s2>=-6.4D-08 <3sh|9s2>=-1.3D-08 < 1s|9s2>=-4.7D-08 1 -0.000027 2 -0.038572 3 0.061819 4 -0.003197 5 -0.007425 6 0.011075 7 -0.011148 8 -0.012718 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.71D-01 ITERATION NUMBER 3 ---------------- CONVERGENCE CRITERIA = 1.7D-06 E(9s1 2s) =-1.64843E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.37317E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.52020E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.16790E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.34682E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.71330E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.17094E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.04487E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0042474 0.0021300 1.0132040 c 5.06D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001013************** 1.71D-01 < 2s|9s1>= 1.7D-02 < 1s|9s1>= 5.7D-02 9s1 0.7479326 0.2596804 1.0018497** 4.19D-02 9d1 0.7487935 0.0083841 0.9998893** 1.05D-03 <2ph|9p2>=-1.1D-02 9p2 0.8903356 0.2718030 1.0021117** 1.16D-02 < 2s|9s2>=-6.8D-03 <3sh|9s2>=-1.6D-03 < 1s|9s2>=-3.3D-02 9s2 0.8868219 0.0180081 1.0007686** 2.34D-02 <3dh|9d2>= 1.5D-04 9d2 0.8875898 0.0054087 0.9998138** 3.40D-03 <2ph|9p3>=-6.6D-03 9p3 0.8869423 -0.0643991 0.9998525** 3.18D-03 9f1 0.8880518 0.0019959 0.9997748** 8.13D-04 < 2s|9s1>= 6.4D-08 < 1s|9s1>= 4.8D-08 < 2s|9s2>=-2.6D-07 <3sh|9s2>=-5.4D-08 < 1s|9s2>=-2.0D-07 1 0.000027 2 -0.038571 3 0.061871 4 -0.003206 5 -0.007428 6 0.011082 7 -0.011144 8 -0.012728 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.06D-02 ITERATION NUMBER 4 ---------------- CONVERGENCE CRITERIA = 2.2D-06 E(9s1 2s) =-1.63949E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.38753E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49889E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.12861E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.35065E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.71274E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.15958E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.05205E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0041898 0.0021289 0.9994759 c 1.38D-02 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001013************** 1.71D-01 < 2s|9s1>= 2.0D-03 < 1s|9s1>= 8.0D-03 9s1 0.7479065 0.1644509 1.0000358** 5.99D-03 9d1 0.7480711 0.0083821 0.9999923** 5.68D-05 <2ph|9p2>=-3.2D-03 9p2 0.8873772 0.2733393 0.9999748** 1.56D-03 < 2s|9s2>= 6.7D-03 <3sh|9s2>=-3.0D-04 < 1s|9s2>= 1.7D-02 9s2 0.8867797 0.1131712 1.0001190** 1.32D-02 <3dh|9d2>= 1.8D-04 9d2 0.8869211 0.0054356 0.9999913** 1.75D-04 <2ph|9p3>=-1.1D-03 9p3 0.8867620 -0.0634068 1.0000111** 5.72D-04 9f1 0.8870484 0.0019982 0.9999901** 7.53D-05 < 2s|9s1>= 1.4D-08 < 1s|9s1>= 1.0D-08 < 2s|9s2>= 2.5D-08 <3sh|9s2>= 5.1D-09 < 1s|9s2>= 1.9D-08 1 -0.000027 2 -0.038565 3 0.061876 4 -0.003208 5 -0.007427 6 0.011082 7 -0.011143 8 -0.012730 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.38D-02 ITERATION NUMBER 5 ---------------- CONVERGENCE CRITERIA = 2.9D-06 E(9s1 2s) =-1.64167E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.39003E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49384E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.12715E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.35337E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.71296E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.15791E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.05343E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0041842 0.0021259 0.9985701 c 1.34D-03 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001013************** 1.71D-01 < 2s|9s1>=-3.9D-04 < 1s|9s1>=-1.2D-03 9s1 0.7479979 0.1472182 0.9999959** 8.40D-04 9d1 0.7479804 0.0083764 1.0000049** 2.66D-05 <2ph|9p2>=-2.9D-05 9p2 0.8868255 0.2738652 1.0000223** 5.94D-05 < 2s|9s2>= 8.4D-04 <3sh|9s2>= 1.5D-05 < 1s|9s2>= 2.9D-03 9s2 0.8868849 0.0826441 0.9999939** 2.30D-03 <3dh|9d2>= 2.0D-05 9d2 0.8868774 0.0054235 1.0000013** 2.35D-05 <2ph|9p3>= 1.1D-04 9p3 0.8868690 -0.0631735 0.9999988** 4.79D-05 9f1 0.8868559 0.0019974 1.0000037** 1.60D-05 < 2s|9s1>=-2.4D-09 < 1s|9s1>=-1.8D-09 < 2s|9s2>= 5.4D-09 <3sh|9s2>= 1.1D-09 < 1s|9s2>= 4.0D-09 1 0.000027 2 -0.038565 3 0.061875 4 -0.003208 5 -0.007427 6 0.011082 7 -0.011142 8 -0.012729 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.34D-03 ITERATION NUMBER 6 ---------------- CONVERGENCE CRITERIA = 3.7D-06 E(9s1 2s) =-1.64223E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.38977E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49387E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.12893E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.35334E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.71294E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.15786E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.05336E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0041866 0.0021242 0.9992079 c 5.85D-04 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001013************** 1.71D-01 < 2s|9s1>=-2.6D-04 < 1s|9s1>=-9.1D-04 9s1 0.7480063 0.1477982 0.9999984** 6.62D-04 9d1 0.7479898 0.0083739 1.0000023** 1.22D-05 <2ph|9p2>= 1.8D-04 9p2 0.8868416 0.2738920 1.0000040** 8.32D-05 < 2s|9s2>=-5.5D-04 <3sh|9s2>= 2.4D-05 < 1s|9s2>=-1.2D-03 9s2 0.8868942 0.0744342 1.0000047** 9.33D-04 <3dh|9d2>=-5.3D-06 9d2 0.8868837 0.0054170 1.0000010** 2.05D-05 <2ph|9p3>= 9.7D-05 9p3 0.8868915 -0.0631681 0.9999995** 4.55D-05 9f1 0.8868691 0.0019970 1.0000020** 9.63D-06 < 2s|9s1>=-1.8D-09 < 1s|9s1>=-1.4D-09 < 2s|9s2>=-2.8D-09 <3sh|9s2>=-5.7D-10 < 1s|9s2>=-2.1D-09 1 -0.000027 2 -0.038565 3 0.061874 4 -0.003208 5 -0.007427 6 0.011082 7 -0.011142 8 -0.012729 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 5.85D-04 ITERATION NUMBER 7 ---------------- CONVERGENCE CRITERIA = 4.8D-06 E(9s1 2s) =-1.64233E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.38952E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49422E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.12953E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.35319E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.71293E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.15795E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.05324E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0041882 0.0021233 0.9995953 c 3.70D-04 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001013************** 1.71D-01 < 2s|9s1>=-1.2D-04 < 1s|9s1>=-4.4D-04 9s1 0.7480032 0.1487177 0.9999991** 3.16D-04 9d1 0.7479951 0.0083727 1.0000011** 5.70D-06 <2ph|9p2>= 8.8D-05 9p2 0.8868660 0.2738725 1.0000004** 4.03D-05 < 2s|9s2>=-3.0D-04 <3sh|9s2>= 1.2D-05 < 1s|9s2>=-6.6D-04 9s2 0.8868912 0.0756080 1.0000028** 5.45D-04 <3dh|9d2>=-1.8D-06 9d2 0.8868861 0.0054141 1.0000005** 9.53D-06 <2ph|9p3>= 4.9D-05 9p3 0.8868898 -0.0631734 0.9999999** 2.22D-05 9f1 0.8868787 0.0019968 1.0000010** 4.65D-06 < 2s|9s1>=-8.7D-10 < 1s|9s1>=-6.4D-10 < 2s|9s2>=-1.5D-09 <3sh|9s2>=-3.1D-10 < 1s|9s2>=-1.1D-09 1 0.000027 2 -0.038565 3 0.061874 4 -0.003207 5 -0.007427 6 0.011082 7 -0.011142 8 -0.012729 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 3.70D-04 ITERATION NUMBER 8 ---------------- CONVERGENCE CRITERIA = 6.3D-06 E(9s1 2s) =-1.64236E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.38940E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49440E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.12970E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.35310E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.71292E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.15799E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.05318E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0041889 0.0021229 0.9997875 c 1.79D-04 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001013************** 1.71D-01 < 2s|9s1>=-6.2D-05 < 1s|9s1>=-2.2D-04 9s1 0.7480014 0.1491377 0.9999994** 1.59D-04 9d1 0.7479972 0.0083721 1.0000006** 2.93D-06 <2ph|9p2>= 4.0D-05 9p2 0.8868766 0.2738645 0.9999998** 2.02D-05 < 2s|9s2>=-1.5D-04 <3sh|9s2>= 6.6D-06 < 1s|9s2>=-3.0D-04 9s2 0.8868893 0.0763814 1.0000013** 2.57D-04 <3dh|9d2>= 1.2D-07 9d2 0.8868868 0.0054126 1.0000002** 4.55D-06 <2ph|9p3>= 2.6D-05 9p3 0.8868885 -0.0631758 0.9999999** 1.16D-05 9f1 0.8868830 0.0019967 1.0000005** 2.37D-06 < 2s|9s1>=-4.3D-10 < 1s|9s1>=-3.2D-10 < 2s|9s2>=-7.2D-10 <3sh|9s2>=-1.5D-10 < 1s|9s2>=-5.4D-10 1 -0.000027 2 -0.038565 3 0.061874 4 -0.003207 5 -0.007427 6 0.011082 7 -0.011142 8 -0.012729 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 1.79D-04 ITERATION NUMBER 9 ---------------- CONVERGENCE CRITERIA = 8.2D-06 E(9s1 2s) =-1.64238E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.38934E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49450E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.12979E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.35306E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.71292E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.15801E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.05315E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0041893 0.0021226 0.9998869 c 9.22D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001013************** 1.71D-01 < 2s|9s1>=-3.2D-05 < 1s|9s1>=-1.2D-04 9s1 0.7480006 0.1493405 0.9999997** 8.28D-05 9d1 0.7479983 0.0083718 1.0000003** 1.56D-06 <2ph|9p2>= 2.0D-05 9p2 0.8868816 0.2738611 0.9999999** 1.03D-05 < 2s|9s2>=-9.8D-05 <3sh|9s2>= 4.2D-06 < 1s|9s2>=-1.8D-04 9s2 0.8868885 0.0766462 1.0000008** 1.57D-04 <3dh|9d2>= 7.7D-07 9d2 0.8868871 0.0054119 1.0000001** 2.34D-06 <2ph|9p3>= 1.5D-05 9p3 0.8868881 -0.0631770 1.0000000** 6.57D-06 9f1 0.8868853 0.0019967 1.0000003** 1.25D-06 < 2s|9s1>=-2.3D-10 < 1s|9s1>=-1.7D-10 < 2s|9s2>=-4.5D-10 < 1s|9s2>=-3.3D-10 1 0.000027 2 -0.038565 3 0.061874 4 -0.003207 5 -0.007427 6 0.011082 7 -0.011142 8 -0.012729 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 9.22D-05 ITERATION NUMBER 10 ---------------- CONVERGENCE CRITERIA = 1.1D-05 E(9s1 2s) =-1.64239E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.38931E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49454E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.12984E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.35304E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.71291E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.15802E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.05314E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0041895 0.0021225 0.9999398 c 4.91D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001013************** 1.71D-01 < 2s|9s1>=-1.6D-05 < 1s|9s1>=-6.1D-05 9s1 0.7480002 0.1494468 0.9999998** 4.31D-05 9d1 0.7479989 0.0083716 1.0000002** 8.33D-07 <2ph|9p2>= 1.0D-05 9p2 0.8868842 0.2738593 1.0000000** 5.11D-06 < 2s|9s2>=-7.2D-05 <3sh|9s2>= 2.9D-06 < 1s|9s2>=-1.2D-04 9s2 0.8868881 0.0767774 1.0000006** 1.09D-04 <3dh|9d2>= 1.1D-06 9d2 0.8868873 0.0054114 1.0000000** 1.19D-06 <2ph|9p3>= 8.8D-06 9p3 0.8868879 -0.0631775 1.0000000** 3.93D-06 9f1 0.8868865 0.0019966 1.0000001** 6.65D-07 < 2s|9s1>=-1.2D-10 < 2s|9s2>=-3.1D-10 < 1s|9s2>=-2.3D-10 1 -0.000027 2 -0.038565 3 0.061874 4 -0.003207 5 -0.007427 6 0.011082 7 -0.011142 8 -0.012729 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 4.91D-05 ITERATION NUMBER 11 ---------------- CONVERGENCE CRITERIA = 1.4D-05 E(9s1 2s) =-1.64239E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.38929E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49457E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.12986E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.35303E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.71291E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.15803E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.05313E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0041896 0.0021224 0.9999680 c 2.62D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 -0.0001013************** 1.71D-01 < 2s|9s1>=-7.4D-06 < 1s|9s1>=-3.2D-05 9s1 0.7479999 0.1495036 0.9999999** 2.19D-05 9d1 0.7479992 0.0083715 1.0000001** 4.43D-07 <2ph|9p2>= 4.6D-06 9p2 0.8868856 0.2738584 1.0000000** 2.38D-06 < 2s|9s2>=-5.8D-05 <3sh|9s2>= 2.2D-06 < 1s|9s2>=-8.7D-05 9s2 0.8868878 0.0768500 1.0000004** 8.18D-05 <3dh|9d2>= 1.3D-06 9d2 0.8868874 0.0054112 1.0000000** 5.88D-07 <2ph|9p3>= 5.7D-06 9p3 0.8868878 -0.0631778 1.0000000** 2.52D-06 9f1 0.8868871 0.0019966 1.0000001** 3.54D-07 < 2s|9s2>=-2.3D-10 < 1s|9s2>=-1.7D-10 1 0.000027 2 -0.038565 3 0.061874 4 -0.003207 5 -0.007427 6 0.011082 7 -0.011142 8 -0.012729 LEAST SELF-CONSISTENT FUNCTION IS kpc :WEIGHTED MAXIMUM CHANGE = 2.62D-05 ITERATION NUMBER 12 ---------------- CONVERGENCE CRITERIA = 1.8D-05 E(9s1 2s) =-1.64240E-01 E( 2s9s1) = 1.00000E-05 E(9s1 1s) = 2.38928E+00 E( 1s9s1) = 1.00000E-05 E(9p22ph) = 5.49458E+00 E(2ph9p2) = 1.00000E-05 E(9s2 2s) =-1.12988E-01 E( 2s9s2) = 1.00000E-05 E(9s23sh) =-3.35302E-01 E(3sh9s2) = 1.00000E-05 E(9s2 1s) =-3.71291E+01 E( 1s9s2) = 1.00000E-05 E(9d23dh) =-8.15803E-01 E(3dh9d2) = 1.00000E-05 E(9p32ph) =-3.05313E+00 E(2ph9p3) = 1.00000E-05 EL ED/DELTA AZ NORM DPM in WKB: r-value too small, r= 43.870846033294 in WKB: r-value too small, r= 49.712181317359 in WKB: r-value too small, r= 56.331281358343 in WKB: r-value too small, r= 63.831704330479 kpc 0.0041897 0.0021224 0.9999830 c 1.39D-05 ED = **********; ADJUSTED TO ALLOWED MINIMUM ENERGY 9p1 0.0000308 0.0001013************** 1.71D-01 < 2s|9s1>=-2.8D-06 < 1s|9s1>=-1.6D-05 9s1 0.7479998 0.1495339 0.9999999** 1.06D-05 9d1 0.7479994 0.0083715 1.0000000** 2.36D-07 <2ph|9p2>= 1.6D-06 9p2 0.8868864 0.2738578 1.0000000** 9.23D-07 < 2s|9s2>=-5.0D-05 <3sh|9s2>= 1.9D-06 < 1s|9s2>=-6.9D-05 9s2 0.8868877 0.0768889 1.0000004** 6.74D-05 <3dh|9d2>= 1.4D-06 9d2 0.8868874 0.0054111 1.0000000** 5.37D-07 <2ph|9p3>= 4.0D-06 9p3 0.8868877 -0.0631780 1.0000000** 1.78D-06 9f1 0.8868874 0.0019966 1.0000000** 1.89D-07 < 2s|9s2>=-1.9D-10 < 1s|9s2>=-1.4D-10 1 -0.000027 2 -0.038565 3 0.061874 4 -0.003207 5 -0.007427 6 0.011082 7 -0.011142 8 -0.012729 k^2 sum(c^2) delta delta/pi 0.014000 0.0259503 -0.001100 -0.000350 0.013000 0.0247300 -0.000167 -0.000053 0.012000 0.0234578 -0.001448 -0.000461 0.011000 0.0221322 -0.000137 -0.000044 0.010000 0.0207375 0.001126 0.000358 0.009000 0.0192800 0.003332 0.001061 0.008000 0.0177181 0.003225 0.001026 0.007000 0.0160711 0.003985 0.001269 0.006000 0.0143134 0.004747 0.001511 0.005000 0.0124303 0.005008 0.001594 0.004000 0.0104023 0.005217 0.001661 0.003000 0.0082010 0.004967 0.001581 0.002000 0.0057901 0.004190 0.001334