[Pw_forum] problem with vc-relax

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Thu Jan 8 16:48:17 CET 2009


On Wed, 7 Jan 2009, loc duong ding wrote:

LDD> Dear all,
LDD> 

LDD> Could you introduce to me some references for cell relaxation? I 
LDD> think I don't have enough knowledge for such kind of calculation.

how about reading some of the recommended literature?
and _studying the available tutorial material.

check out http://www.quantum-espresso.org/learn.php

axel

LDD> Thanks for all.
LDD> 
LDD>  -----------------------------------------------
LDD> Loc Duong Dinh
LDD> Ms-Ph.D Student
LDD> Sungkyunkwan Advanced Institute of Nanotechnology,
LDD> Sungkyunkwan University,
LDD> Suwon, 440-746, Korea 
LDD> Email: mambom1902 at yahoo.com
LDD> 
LDD> 
LDD>       
LDD> _______________________________________________
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LDD> 

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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