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

From: Matthieu Verstraete <mjv500@york.ac.uk>
To: forum@abinit.org
Subject: Re: [abinit-forum] How to deal with the output files?
Date: Tue, 12 Sep 2006 18:16:02 +0100 (BST)

No, abinit does not calculate Mulliken populations. I think siesta and maybe pwscf do. The closest we have is the angular momentum decomposition per atom (prtdos 3 or options within cut3d).

Matthieu

--
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Dr. Matthieu Verstraete mailto:mjv500@york.ac.uk
Dept. of Physics, University of York, tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14

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