Please visit <a href="http://www.democritos.it/pipermail/pw_forum/2006-July/004534.html">http://www.democritos.it/pipermail/pw_forum/2006-July/004534.html</a>, here Prof. Eyvaz. has given solution.<br><br>Sanjeev<br>Dept. of Physics<br>
Bhavnagar University,<br>Gujarat<br><br><div class="gmail_quote">On 4 August 2010 07:35, eli <span dir="ltr"><<a href="mailto:elahe_afrodit@yahoo.com">elahe_afrodit@yahoo.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
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<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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<br></blockquote></div><br><br clear="all"><br>-- <br>With Kind Regards,<br>Sanjeev K. Gupta<br><br><br><br>