[Pw_forum] A problem with pwcond.x

[Gabriele Sclauzero]

Dear Mohsen,

    hard to say from your output without any further information. You 
should submit the input for scf and cond steps as well. First you could 
try to recompile pwcond.x using some debug flags (like "-g -check all 
-traceback" for the ifort compiler).
   By the way, are you sure that you need to use a PP for C with beta 
projectors for the 3d and 4f states?

GS

On 09/04/2010 09:29 AM, mohsen modaresi wrote:
> Dear Users,
> I tried to calculate conduction of  CNT22 with "pwcond.x".
> scf calculation had been done successfully. But when i run pwcond.x
> calculation stoped and i get this out put.
> Could you help me, please?
>
> Sincerely yours,
>
> Mohsen Modarresi
> Ferdowsi University of Mashhad
>    
>
>
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>    


-- 

Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne

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