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[abinit-forum] boxcut ?

From: Souraya Goumri-Said <Souraya.Goumri-Said@fundp.ac.be>
To: forum@abinit.org
Subject: [abinit-forum] boxcut ?
Date: Wed, 04 Mar 2009 17:50:03 +0100

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 Matière et du Rayonnement (PMR)
Laboratoire de Physique du Solide
Facultés 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

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      - Message not available
        
        [abinit-forum] boxcut ?, Souraya Goumri-Said, 03/04/2009
        
        Re: [abinit-forum] boxcut ?, Zhenhua Zeng, 03/05/2009