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Re: [abinit-forum] diverged Etot


Chronological Thread 
  • From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] diverged Etot
  • Date: Thu, 31 May 2007 10:09:54 +0200
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Hello,

Would you mind following the netiquette and sending complet input information and appropriate output extracts ? Presently, most people may not be able to help you. I personally do not understand what is your problem.

Regards.

PMA

On 5/30/07, ghada ameereh <ghaddosh@yahoo.com> wrote:
dear abinitors:
when i calculate the DOS fo CoSiGe3 i obtained
divergence in calculating Etot"between two points"like
this
Etot -97.123213
Etot -115.32453
Etot -97.123212
Etot -115.432143
in the begining .so i make cutting for the jop .
is Etot will be continue to be converged in the end
?is the unrelaxed system cause the previous problem?
than you




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