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[abinit-forum] physical/numerical interpretation

From: Souraya Goumri-Said <Souraya.Goumri-Said@fundp.ac.be>
To: forum@abinit.org
Subject: [abinit-forum] physical/numerical interpretation
Date: Fri, 03 Apr 2009 18:18:00 +0200

Hi all,

Recently, I have seen that elastic constant calculated from abinit or castep ( pseudopotential methods) are often below those caculated from full potential methods ( FPLAPW, wien2K ); Does anyone have an idea/ interpretation ( physical or numerical ) about this ?

Best regards,

====================================
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

[abinit-forum] physical/numerical interpretation, Souraya Goumri-Said, 04/03/2009