[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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