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diverged Etot

From: ghada ameereh <ghaddosh@yahoo.com>
To: mailing list for abinit <forum@abinit.org>
Subject: diverged Etot
Date: Wed, 30 May 2007 05:15:58 -0700 (PDT)
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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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diverged Etot, ghada ameereh, 05/30/2007
- Re: [abinit-forum] diverged Etot, Anglade Pierre-Matthieu, 05/31/2007
- <Possible follow-up(s)>
- Re:Re:diverged Etot, ghada ameereh, 05/31/2007
  - Re: [abinit-forum] Re:Re:diverged Etot, Anglade Pierre-Matthieu, 05/31/2007
  - Re: [abinit-forum] Re:Re:diverged Etot, Xavier Gonze, 05/31/2007