[Pw_forum] error: q not allowed

Eyvaz Isaev eyvaz_isaev at yahoo.com
Wed Aug 4 11:09:47 CEST 2010

Dear Eli,

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.

Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com

From: eli <elahe_afrodit at yahoo.com>
To: pw_forum at pwscf.org
Sent: Wed, August 4, 2010 7:35:42 AM
Subject: [Pw_forum] error: q not allowed

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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