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Re: [abinit-forum] total energy

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] total energy
Date: Thu, 24 May 2007 10:55:59 +0200
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Hi,

You should probably follow the Abinit's netiquette and at least tell us the kind of system you are studying.
Positive total energies usualy arise from:
- unstable systems
- diverging computations
You may have misconfigured your calculation.
Regards

PMA

On 5/24/07, xd0533@163.com < xd0533@163.com> wrote:

dear forum,
    Why the total energy I get is positive? Is this normal? What is the reason?
                                                                Best wishes!
                                                             xd

--
Pierre-Matthieu Anglade

total energy, xd0533, 05/24/2007
- Re: [abinit-forum] total energy, Xavier Gonze, 05/24/2007
- Re: [abinit-forum] total energy, Anglade Pierre-Matthieu, 05/24/2007
- <Possible follow-up(s)>
- Re: total energy, xd0533, 05/24/2007
  - Re: [abinit-forum] Re: total energy, Masayoshi Mikami, 05/24/2007
- Re: total energy, xd0533, 05/24/2007
  - Re: [abinit-forum] Re: total energy, Anglade Pierre-Matthieu, 05/24/2007