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Re: [abinit-forum] tolerant criteria of rf calculations.

From: matthieu verstraete <matthieu.jean.verstraete@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] tolerant criteria of rf calculations.
Date: Fri, 5 Jun 2009 09:40:05 +0200
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> I am just wondering why the scf calculation are different between
> phonon and el-phon.
you attach an abinit input file to calculate phonons (this is fine).
The electron phonon calculation is done later in anaddb.

I still do not know what you mean by bad convergence etc... The phonon
perturbation calculation is different from a ground state, there is no
reason it should converge the same way, but it should converge...

Again, please follow _all_ of the nettiquette
http://wwwold.abinit.org/community/?text=netiquette

Matthieu

--
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72, Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain Fax : +34-943018390

Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500

[abinit-forum] tolerant criteria of rf calculations., St Druid, 06/04/2009
- Re: [abinit-forum] tolerant criteria of rf calculations., matthieu verstraete, 06/04/2009
  - Re: [abinit-forum] tolerant criteria of rf calculations., St Druid, 06/05/2009
    - Re: [abinit-forum] tolerant criteria of rf calculations., matthieu verstraete, 06/05/2009
      - Re: [abinit-forum] tolerant criteria of rf calculations., Anglade Pierre-Matthieu, 06/05/2009
        
        Re: Re: [abinit-forum] tolerant criteria of rf calculations., Zhenhua Zeng, 06/05/2009
        
        Re: Re: [abinit-forum] tolerant criteria of rf calculations., Anglade Pierre-Matthieu, 06/05/2009
      - Re: [abinit-forum] tolerant criteria of rf calculations., St Druid, 06/07/2009
        
        Re: [abinit-forum] tolerant criteria of rf calculations., 6671011, 06/08/2009
        
        Re: [abinit-forum] tolerant criteria of rf calculations., Anglade Pierre-Matthieu, 06/08/2009
        
        Re: [abinit-forum] tolerant criteria of rf calculations., St Druid, 06/08/2009
        Re: [abinit-forum] tolerant criteria of rf calculations., matthieu verstraete, 06/10/2009
        Re: [abinit-forum] tolerant criteria of rf calculations., St Druid, 06/11/2009