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Re: [abinit-forum] boxcut ?

From: "Zhenhua Zeng" <myid520@163.com>
To: "forum@abinit.org" <forum@abinit.org>
Subject: Re: [abinit-forum] boxcut ?
Date: Thu, 5 Mar 2009 08:55:18 +0800

Maybe your ecut is too low. Why not try a higher one.

Best Wishes
Zhenhua Zeng

-------------------------------------------------------------
From：Souraya Goumri-Said
sent:：2009-03-05 00:51:18
To：forum@abinit.org
Subject：[abinit-forum] boxcut ?

>
>>Dear Abinit users,
>
>
>I have this error and a core when my calculation is stopped:
>
>
> getcut : WARNING -
> Note that boxcut < 1.5; this usually means
> that the forces are being fairly strongly
>affected by the smallness of the fft box.
> Be sure to test with larger ngfft(3) values.
>
>
>How to resolve this proble, please
>
>Regards
>
>
>Cordialement,
>Sincerely yours,
>
>====================================
>Dr. Souraya Goumri-Said
>Centre de recherche en Physique de la Mati�re et du Rayonnement (PMR)
>Laboratoire de Physique du Solide
>Facult�s Universitaires Notre-Dame de la Paix
>Rue de Bruxelles 61 - B - 5000 Namur
>Tel : +32(0)81 72 47 01
>Fax : +32(0)81 72 47 10
>http://sourayagoumri-said.weebly.com/
>email : Souraya.Goumri-Said@fundp.ac.be
S
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[abinit-forum] how to plot phonon DOS, mt_kadri, 03/01/2009
- RE: [abinit-forum] how to plot phonon DOS, badis bennacer, 03/01/2009
  - Re: [abinit-forum] how to plot phonon DOS, matthieu verstraete, 03/02/2009
  - [abinit-forum] optimal value of dilatmx, Souraya Goumri-Said, 03/04/2009
    - Re: [abinit-forum] optimal value of dilatmx, matthieu verstraete, 03/04/2009
      - Message not available
        
        [abinit-forum] boxcut ?, Souraya Goumri-Said, 03/04/2009
        
        Re: [abinit-forum] boxcut ?, Zhenhua Zeng, 03/05/2009