<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt">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><div> </div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">Eyvaz.<br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><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>
<div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><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<div><br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma"
size="2"><hr size="1"><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-family: arial,sans-serif; font-size: 13px; 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><div><br></div><div>Use dynmat.x after ph.x.</div><div><br></div><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 target="_blank" href="http://fisica.ciencias.uchile.cl/%7Eemenendez">http://fisica.ciencias.uchile.cl/%7Eemenendez</a></span></span><br>
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