[Pw_forum] error: q not allowed

eli elahe_afrodit at yahoo.com
Wed Aug 4 07:35:42 CEST 2010

I am presently working on some phonon calculations for Nanowire of MnAs and I got an error message from the q2r:%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      from init : error #         1
      q not allowed


I did some phonons on a 1x1x8 grid and my input is
   fildyn='MnAs.dyn' , zasr='simple' , flfrc='MnAs.fc'
 Plz give me some suggestion on how to correct this error.
Best Regards.
Elahe Teimouri

Computational Condensed Matter Research Lab

Physics Department, Isfahan University of Technology, Isfahan, Iran

Tel lab: +98 311 391 3731     Fax Office: +98311 391 3746

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