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Re: [abinit-forum] Vacancies implementation in Al2O3

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] Vacancies implementation in Al2O3
Date: Thu, 16 Mar 2006 10:55:30 +0100
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> --> do I have to count them like the other atoms in natom? NO
> --> what type (typat) of atoms do I have to define? NONE
> --> how define their positions? Keep it undefined

You just have to remove the atoms.

Vacancies implementation in Al2O3, Stephane BECU, 03/16/2006
- Re: [abinit-forum] Vacancies implementation in Al2O3, Anglade Pierre-Matthieu, 03/16/2006
- Re: [abinit-forum] Vacancies implementation in Al2O3, Pierre Boulenc, 03/16/2006
  - RE: [abinit-forum] Vacancies implementation in Al2O3, Stephane BECU, 03/16/2006
    - Re: [abinit-forum] Vacancies implementation in Al2O3, Pierre Boulenc, 03/16/2006
  - Re: [abinit-forum] Vacancies implementation in Al2O3, Vincenzo Fiorentini, 03/16/2006
    - [abinit-forum] Vacancies implementation in Al2O3, Stephane BECU, 03/16/2006
      - Re: [abinit-forum] Vacancies implementation in Al2O3, Pierre Boulenc, 03/16/2006
        
        Re: [abinit-forum] Vacancies implementation in Al2O3, José C. Conesa, 03/16/2006
        
        Re: [abinit-forum] Vacancies implementation in Al2O3, Vincenzo Fiorentini, 03/16/2006