Hi, I suggest you read the example 3 which is about structural optimization. I think it helps. Then you might write codes by yourself.
Best regards, Franklin > Date: Fri, 24 Aug 2012 15:51:50 +0200 > From: akohlmey at gmail.com > To: pw_forum at pwscf.org > Subject: Re: [Pw_forum] (no subject) > > On Fri, Aug 24, 2012 at 3:42 PM, ramzi alaya <ramzialaya at hotmail.fr> wrote: > > Dear all: > > > > I will study the structural properties of zinc blende ternary alloys. The > > calculation will be performed on a supercell 16 atoms (1 * 1 * 2). My > > question is as follows: > > How do I define my input parameters (ibrav, celldm). > > preferably with a text editor. > > read the documentation, study the existing examples > and tutorials and just write it. > > easy as pie. > > good luck, > axel. > > > > > > Thank you. > > Regards. > > > > > > > > > > **************************************************************************************************************************************************************************** > > Ramzi Alaya > > > > E-mail : ramzialaya at hotmail.fr > > Facult? des Sciences de Gab?s, Cit? Erriadh 6072 Gab?s- Tunisie > > Unit? de Recherche sur les H?t?ro-Epitaxies et Applications > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > -- > Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 > International Centre for Theoretical Physics, Trieste. Italy. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120825/c2f5eb16/attachment-0001.htm
