[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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