<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><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></table><br>