forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

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

From: St Druid <tq02ksu@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] tolerant criteria of rf calculations.
Date: Mon, 8 Jun 2009 15:23:37 +0800
Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=mime-version:in-reply-to:references:date:message-id:subject:from:to :content-type:content-transfer-encoding; b=M2xY4QOuUkAzZUpbAbg6qcXNX4sO8wERZJyFyeORm7bkZvnyzss+rKgQp5Eab9/8zQ 0XoLTDkQ//STbwSikpSINKstYkMeH03kRTOupBBlsZ1FyHtfa8F0NT5UbB7N37VMcnap vgNbW1EgGu3Deow+2b786b0HJha+jDuALaEMM=

Dear PMA, LUO
Thank you for your reply, i got it.
tolvrs is a very good convergent criterion. But one can relax the
system using voldfe to get relevant stable coordination at first time.

OK. thank you.

sincerely.

--
B.W. Dong
State Key Laboratory of Superhard Materials,
Jilin University, Changchun, China. 130012

tq02ksu@gmail.com [ dbw07@mails.jlu.edu.cn ]

[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