[Pw_forum] error in the phonon calculation at Gamma point

Dal Corso Andrea dalcorso at sissa.it
Wed Sep 3 13:55:59 CEST 2008


On Wed, 2008-09-03 at 18:44 +0800, Guoying Gao wrote:
> Dear everyone,
> 
>      When I calculate the phonon frequency at Gamma point, the
> following errors are encountered in XX.ph.out file
> 
> 
>      Program PHONON    v.3.2    starts ...
>      Today is  3Sep2008 at 18:29:37
> 
>      Ultrasoft (Vanderbilt) Pseudopotentials
> 
>      nbndx  =    20  nbnd   =    20  natomwfc =   128  npwx   =    3784
>      nelec  =  40.00  nkb   =    88  ngl    =    5829
> 
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from divide_class : error #         1
>      wrong axis
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

>      stopping ...
> 

Please check if this error is still present with the 4.0.1 version of
the code. If it is, please provide the input file. 

Andrea


> Any suggestions will be appreciated.  Thanks in advance!
> 
> Best wishes!
> 
> Guoying
> Jilin Univ.
> P.R.China
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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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