[Pw_forum] CRASH for bands.x calculation

Andrea Dal Corso dalcorso at sissa.it
Fri Jul 28 09:44:53 CEST 2006


The algorithm of bands.x has been changed. The new algorithm is in
espresso 3.1 or higher. If there are still problems with this new
version, please let me know.

Best Regards,

Andrea

On Fri, 2006-07-28 at 02:50 +0800, lan haiping wrote:
> Dear Andrea
>  
> my  version is 3.0.. I should then update it ..
>  
> Thank you 
>  
> Regards,
>  
> Hai-Ping
> 
>  
> On 7/21/06, Andrea Dal Corso <dalcorso at sissa.it> wrote: 
>         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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-- 
Andrea Dal Corso                    Tel. 0039-040-3787428
SISSA, Via Beirut 2/4               Fax. 0039-040-3787528
34014 Trieste (Italy)               e-mail: dalcorso at sissa.it




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