Subject: NWCHEM: electronic density

From: Claudio Perottoni <perott_at_if.ufrgs.br>
Date: Fri, 29 Aug 2003 15:32:22 -0300

Hi, 

  Could someone tell me is it possible to use NWCHEM output files as input 
for some AIM (Bader's "atoms in molecules" procedure) program? I need this in 
order to calculate the electronic density at the nuclei coordinates.

         Many thanks in advance !

         Claudio.

-- 
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Dr. Claudio A. Perottoni

Universidade de Caxias do Sul 
Centro de Cijncias Exatas e Tecnologia 
Departamento de Fmsica e Qummica 
Rua Francisco Getzlio Vargas, 1130 
95070-560  Caxias do Sul - RS - BRASIL
e-mail: caperott_at_ucs.br
Tel: +55 54 218 2100  ext. 2449

Associated Researcher 
Universidade Federal do Rio Grande do Sul
Instituto de Fmsica - Lab. de Altas Pressues e Materiais Avangados
Av. Bento Gongalves, 9500
CAIXA POSTAL 15051
91501-970  PORTO ALEGRE - RS - BRASIL
e-mail: perott_at_if.ufrgs.br
PHONE:+55-51-3316-6500
FAX  :+55-51-3316-7286

http://www.if.ufrgs.br/~perott/index.html
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