<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">Dear Eli,<br><br>This file is not a source of the message, definitely. It just states, your input data are inconsistent. You can send me your input files to see why this happens.<br><div> <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>
eli <elahe_afrodit@yahoo.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> Wed, August 4, 2010 7:35:42 AM<br><b><span style="font-weight: bold;">Subject:</span></b> [Pw_forum] error: q not allowed<br></font><br>
<table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font: inherit;" valign="top"><br><pre>I am presently working on some phonon calculations for Nanowire of MnAs and I got an error message from the q2r:</pre><pre>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> from init : error # 1<br> q not allowed<br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br></pre><br><pre>I did some phonons on a 1x1x8 grid and my input is<br> &input<br> fildyn='MnAs.dyn' , zasr='simple' , flfrc='MnAs.fc'<br> /<br> Plz give me some suggestion on how to correct this error.<br>Best Regards.<br></pre>Elahe Teimouri<br>
Computational Condensed Matter Research Lab<br>
Physics Department, Isfahan University of Technology, Isfahan, Iran<br>
Tel lab: +98 311 391 3731 Fax Office: +98311 391 3746</td></tr></tbody></table><br>
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