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Message-ID: <46D3507E.2090608@wag.caltech.edu>
Date: Mon, 27 Aug 2007 15:30:22 -0700
From: Vyacheslav Bryantsev <slava@wag.caltech.edu>
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To: nwchem-users@emsl.pnl.gov, "Black, Gary D" <gary.black@pnl.gov>
Subject: [NWCHEM] how to plot electron density from the MP2 wave function?
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Hi NWCHEM users,

I can conveniently plot HF MO and electron density using ECCE program. 
By default it generates HF MO and electron densities even if I specify 
that I would like to run MP2 energies and gradients.

My question is: How one can generate and visualize the same information 
  at the MP2 level?


I guess that I can feed MP2 natural orbital to the property package and 
use  the 'ELECTRONDENSITY' and 'NBOFILE' keyword in the PROPERTY model. 
Which program can I use then to plot electron densities? Can ECCE plot them?


I will be very thankful for your suggestions and help.

Thank you,

Vyacheslav Bryantsev,

Scientific Researcher,
California Institute of Technology
626-395-8138