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<DIV>Thanks . The advice give me a lot of help</DIV>
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<DIV>Tanyci</DIV>
<DIV>Nankai university , tianjin </DIV>
<DIV>China </DIV>
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<DIV id=IncrediOriginalMessage dir=ltr style="FONT-SIZE: 11pt"><I>-------Original Message-------</I></DIV>
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<DIV dir=ltr style="FONT-SIZE: 11pt"><I><B>From:</B></I> <A href="mailto:eyvaz_isaev@yahoo.com">Eyvaz Isaev</A></DIV>
<DIV dir=ltr style="FONT-SIZE: 11pt"><I><B>Date:</B></I> 2011-4-11 22:40:44</DIV>
<DIV dir=ltr style="FONT-SIZE: 11pt"><I><B>To:</B></I> <A href="mailto:pw_forum@pwscf.org">PWSCF Forum</A></DIV>
<DIV dir=ltr style="FONT-SIZE: 11pt"><I><B>Subject:</B></I> Re: [Pw_forum] how to get the Eigendisplacements by ph.x</DIV></DIV>
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<DIV style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman,new york,times,serif">Well, I was somewhat wrong. If you need eigendisplacements for q-points (from nq1*nq2*nq3 mesh in ph.in file) then just have look at *.dynN files. They contain both frequencies and eigendisplacements for these q-ponts.<BR>
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<DIV style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman,new york,times,serif">Eyvaz.<BR>
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<B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Eyvaz Isaev <eyvaz_isaev@yahoo.com><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> PWSCF Forum <pw_forum@pwscf.org><BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Mon, April 11, 2011 3:58:58 PM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> Re: [Pw_forum] how to get the Eigendisplacements by ph.x<BR></FONT><BR>
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<DIV>Hi,<BR><BR>>Use dynmat.x after ph.x.</DIV>
<DIV>>In the source file you will find the keywords explained PH/dynmat.f90</DIV>
<DIV><BR>Yes, it is true, if one interested in the Gamma-point only.<BR>Otherwise, one has to use matdyn.x for an arbitrary q-point. Sure, Interatomic Force Constants <BR>Matrix is required.<BR><BR>Bests,<BR>Eyvaz.. <BR> </DIV>-------------------------------------------------------------------<BR>Prof. Eyvaz Isaev, <BR>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <BR>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <BR>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com
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<B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Eduardo Ariel Menendez Proupin <eariel99@gmail.com><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> pw_forum@pwscf.org<BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Mon, April 11, 2011 2:15:30 PM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> [Pw_forum] how to get the Eigendisplacements by ph.x<BR></FONT><BR>
<DIV><SPAN class=Apple-style-span style="FONT-SIZE: 13px; FONT-FAMILY: arial,sans-serif; BORDER-COLLAPSE: collapse">> want to know how to get the Eigendisplacements by ph.x . what i found in the dyn_G file is just "Diagonalizing the dynamical matrix"<BR></SPAN></DIV>
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<DIV>Use dynmat.x after ph.x.</DIV>
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<DIV>In the source file you will find the keywords explained</DIV>PH/dynmat.f90<BR clear=all><BR>
<DIV>Good luck,<BR>-- <BR>
<DIV><BR></DIV>
<DIV><BR></DIV>Eduardo Menendez<BR>Departamento de Fisica<BR>Facultad de Ciencias<BR>Universidad de Chile<BR>Phone: (56)(2)9787439<BR><SPAN><SPAN>URL: <A href="http://fisica.ciencias.uchile.cl/%7Eemenendez" target=_blank>http://fisica.ciencias.uchile.cl/%7Eemenendez</A></SPAN></SPAN><BR></DIV></DIV></DIV></DIV><BR></DIV></DIV></DIV><BR>
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