[molpro-user] Molpro and QTAIM

[Zork Zou]

Hi Vadim,
 
The Molden2AIM program can do it only if you have generated a Molden file using Molpro.
 
http://people.smu.edu/wzou/program/index.html
 
Wenli

--- On Wed, 9/29/10, Vadim Bataev <v.a.bataev at gmail.com> wrote:


From: Vadim Bataev <v.a.bataev at gmail.com>
Subject: [molpro-user] Molpro and QTAIM
To: molpro-user at molpro.net
Date: Wednesday, September 29, 2010, 6:52 AM


Dear all,
Does anyone know how to generate the WFN file from Molpro
output/temporary files for further QTAIM analysis by AIMAll package?
This option would be greatly appreciated!

Vadim Bataev
-- 
   Laboratory of Molecular Spectroscopy
   Department of Chemistry
   Moscow State University
   Leninskie Gory
   119991 Moscow
   RUSSIA

Fax:     7(495) 939-36-89
E-mail: lant at phys.chem.msu.ru
           v.a.bataev at gmail.com
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