[Pw_forum] (no subject)

Gabriele Sclauzero sclauzer at sissa.it
Tue Dec 22 09:24:25 CET 2009


There have been a request similar to yours some time ago

http://www.democritos.it/pipermail/pw_forum/2008-November/010604.html

you can try to see if it has been solved by following the thread. Most probably, the 
problem was caused by your choice of the q-point grid. From the very little information 
you provide, it is difficult to say more than this.


Gabriele

yuning wu wrote:
> Dear all,
> 
> I am doing a phonon spectrum calculation. After got all *.dyn* files, I 
> use the q2r.x to do get *.fc file successfully. However, in phdos 
> calculation, I got an error message:
> 
>      from frc_blk : error #         1
>      wrong total_weight
> 
> I am confused that what can cause this error. Thanks.
> 
> Yuning Wu
> 
> 
> ------------------------------------------------------------------------
> 
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> Pw_forum at pwscf.org
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-- 


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| Gabriele Sclauzero, PhD Student                  |
| c/o:   SISSA & CNR-INFM Democritos,              |
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| email: sclauzer at sissa.it                         |
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