[Pw_forum] CRASH for bands.x calculation

[Andrea Dal Corso]

On Fri, 2006-07-28 at 22:03 +0800, lan haiping wrote:
> Dear Andrea,
>  
> i would like to know whether it is possible for new bands.x to 
> deal with  calculations by old code  ?

This is not possible. Many changes have been done to the format of the
files saved by pw.x. 

Regards,

Andrea

>  
> Regards,
>  
> Hai-Ping
> 
>  
> On 7/28/06, Andrea Dal Corso <dalcorso at sissa.it> wrote: 
>         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
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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