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Re: [abinit-forum] How to deal with the output files?

From: "Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>
To: forum@abinit.org
Subject: Re: [abinit-forum] How to deal with the output files?
Date: Wed, 06 Sep 2006 10:05:10 +0100

Huiyong Deng wrote:

(2) Can the Abinit perform the calculation of the electronic Mulliken population analysis ?

It can't! You'll need a more chemically minded software for that.

It does have an AIM module though which may or may not suit your needs.

--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--

How to deal with the output files?, Huiyong Deng, 09/06/2006
- Re: [abinit-forum] How to deal with the output files?, Anglade Pierre-Matthieu, 09/06/2006
  - Re: [abinit-forum] How to deal with the output files?, Huiyong Deng, 09/06/2006
    - Re: [abinit-forum] How to deal with the output files?, Anglade Pierre-Matthieu, 09/06/2006
      - Re: [abinit-forum] How to deal with the output files?, Nuno A. G. Bandeira, 09/12/2006
        
        Re: [abinit-forum] How to deal with the output files?, Matthieu Verstraete, 09/12/2006
        
        Re: [abinit-forum] How to deal with the output files?, Huiyong Deng, 09/13/2006
        
        Re: [abinit-forum] How to deal with the output files?, Nuno A. G. Bandeira, 09/13/2006
    - Re: [abinit-forum] How to deal with the output files?, Nuno A. G. Bandeira, 09/06/2006