[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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