[Pw_forum] error: q not allowed

[Eyvaz Isaev]

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.

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

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

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
 &input
   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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