[Pw_forum] error: q not allowed

[Sanjeev Kumar Gupta]

Please visit
http://www.democritos.it/pipermail/pw_forum/2006-July/004534.html, here
Prof. Eyvaz. has given solution.

Sanjeev
Dept. of Physics
Bhavnagar University,
Gujarat

On 4 August 2010 07:35, eli <elahe_afrodit at yahoo.com> wrote:

>
> 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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>


-- 
With Kind Regards,
Sanjeev K. Gupta
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