CHANGES OF VERSION 5.1.7
1.
BUGS
2. ALGORITHMS: additions or
changes to existing functional ability
1. BUGS
· fixed error
of misspelling of default diagonalization_method
introduced in 5.1.6
· fixed bug in
generate_gspace. Made it so gs%icomplex is the same
on all processors
· fixed bug in
fourier_transform. One INIT routine did not include
nfn factor. also put in mzcopy routines
which has very slight benefit
· fixed size of time in diag routines to be (14) same
as in scfloop
should make this a global parameter
· fixed allocate(p_weights(7,..) to
allocate(p_weights(10,..) - Je-Luen Li
2.
ALGORITHMS: additions or changes to existing functional ability
·
changed calculation of charge density
to do FFT of multiple bands