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<body class='hmmessage'><div dir='ltr'><font style="" color="#4f81bd"><font style="font-size: 12pt;" size="3"><font style="" face="Franklin Gothic Medium">Hi,<br>I suggest you read the example 3 which is about structural optimization. I think it helps.<br>Then you might write codes by yourself.<br></font></font></font><br><font style="font-size: 10pt;" size="2"><br></font><font style="font-size: 12pt;" size="3"><font color="#4f81bd"><font face="Franklin Gothic Medium">Best regards,<br></font><br></font></font><font style="" face="Franklin Gothic Medium"><font color="#4f81bd" size="3">
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<br>Franklin <br></font></font><font style="" face="Comic Sans MS"><br><br></font><br><br><br><div><div id="SkyDrivePlaceholder"></div>> Date: Fri, 24 Aug 2012 15:51:50 +0200<br>> From: akohlmey@gmail.com<br>> To: pw_forum@pwscf.org<br>> Subject: Re: [Pw_forum] (no subject)<br>> <br>> On Fri, Aug 24, 2012 at 3:42 PM, ramzi alaya <ramzialaya@hotmail.fr> wrote:<br>> > Dear all:<br>> ><br>> > I will study the structural properties of zinc blende ternary alloys. The<br>> > calculation will be performed on a supercell 16 atoms (1 * 1 * 2). My<br>> > question is as follows:<br>> > How do I define my input parameters (ibrav, celldm).<br>> <br>> preferably with a text editor.<br>> <br>> read the documentation, study the existing examples<br>> and tutorials and just write it.<br>> <br>> easy as pie.<br>> <br>> good luck,<br>> axel.<br>> <br>> <br>> ><br>> > Thank you.<br>> > Regards.<br>> ><br>> ><br>> ><br>> ><br>> > ****************************************************************************************************************************************************************************<br>> > Ramzi Alaya<br>> ><br>> > E-mail : ramzialaya@hotmail.fr<br>> > Facult¨¦ des Sciences de Gab¨¨s, Cit¨¦ Erriadh 6072 Gab¨¨s- Tunisie<br>> > Unit¨¦ de Recherche sur les H¨¦t¨¦ro-Epitaxies et Applications<br>> ><br>> ><br>> ><br>> > _______________________________________________<br>> > Pw_forum mailing list<br>> > Pw_forum@pwscf.org<br>> > http://www.democritos.it/mailman/listinfo/pw_forum<br>> ><br>> <br>> <br>> <br>> -- <br>> Dr. Axel Kohlmeyer akohlmey@gmail.com http://goo.gl/1wk0<br>> International Centre for Theoretical Physics, Trieste. Italy.<br>> _______________________________________________<br>> Pw_forum mailing list<br>> Pw_forum@pwscf.org<br>> http://www.democritos.it/mailman/listinfo/pw_forum<br></div> </div></body>
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