[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
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