[molpro-user] Mulliken population analysis
szefczyk at mml.ch.pwr.wroc.pl
Mon Jun 14 12:09:17 BST 2004
Dear Molpro users,
I would like to do population analysis for my system, based on
MP2 density (or higher), but by default program uses the SCF density
-- charges before and after MP2 are the same.
I use the following commands:
How can I select MP2 density for population analysis?
I will apreciate any help,
Molecular Modeling Laboratory, Institute of Physical & Theoretical Chemistry
Wroclaw University of Technology, Poland
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