[Pw_forum] CRASH for bands.x calculation

Giovanni Cantele Giovanni.Cantele at na.infn.it
Fri Jul 21 11:43:22 CEST 2006


lan haiping wrote:
> Hi, All.
>  
>   I came to running crash for bands.x again, with CRASH information:
>  
> * %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      task #         0
>      from punch_band : error #         5
>       increase maxdeg
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 
>
> *
> Would you please help me ? Any hints would be appreciated,
>  The input file of bands.x is below :
>  
> *&inputpp
>    prefix      = "nt80"
>    outdir      = "/home/haiping/tmp/"
>    filband    = "bands.dat"
> /
> *
> And no error occured when performing 'nscf' calculation .
>  
> Regards.
>  
> Hai-Ping
Hi,
you can see
http://www.democritos.it/pipermail/pw_forum/2005-February/002117.html
for explanation.

To solve the problem edit PP/bands.f90 and increase the value of maxdeg, 
recompile
and then run again.

Giovanni

-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. G
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: Giovanni.Cantele at na.infn.it
Web: http://people.na.infn.it/~cantele




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