[Pw_forum] CRASH for bands.x calculation
Andrea Dal Corso
dalcorso at sissa.it
Fri Jul 21 13:06:58 CEST 2006
Which version of PW are you using? If it is 3.1 or later, please post
your input files.
Andrea
Quoting lan haiping <lanhaiping at gmail.com>:
> 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
>
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