[Pw_forum] error in the phonon calculation at Gamma point

Guoying Gao gaoguoying at gmail.com
Wed Sep 3 12:44:09 CEST 2008


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 ...

Any suggestions will be appreciated.  Thanks in advance!

Best wishes!

Guoying
Jilin Univ.
P.R.China



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