[Pw_forum] q2r.x to calculate force constant,erors hapenned

[Eyvaz Isaev]

Dear Shoutian,

First of all please provide your affiliation.
And then nobody can help you unless you provide more
information about an error message you have got.

Bests,
Eyvaz.  

--- shoutian sun <sunshoutian168 at yahoo.com.cn> wrote:

> The results of your email command are provided
> below. Attached is your
> original message.
> 
> - Results:
>     Ignoring non-text/plain MIME parts
> 
> - Unprocessed:
>       I set kpoints  automatic 5 5 8 in self
> consistent
>  calculation,(pw.x)
>       and set np  nq1=2, nq2=2, nq3=4 in the input
> file of ph.x
>       when i use q2r.x to calculate force
> constant,erors hapenned.
>       Could anyone of you tell me why?
>       Thank you so much.
>     ---------------------------------
>     ÑÅ»¢ÓÊÏ䣬ÖÕÉú»ï°é£¡ 
> 
> - Done
> 
> 
>        
> ---------------------------------
> ÑÅ»¢ÓÊÏ䣬ÖÕÉú»ï°é£¡ >
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-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, and 
Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com

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