[Pw_forum] phonon at G error : from phq_readin : error # 1 no elec. field with metals
xu yuehua
njuxuyuehua at gmail.com
Tue May 22 09:04:03 CEST 2007
hello all
i am now compute the phonon calculation at G of h2o, but it has a error in
*out as following: i do not kown what is the meaning?would you tell me what
happened ?
Tue May 22 14:56:04 CST 2007
Program PHONON v.3.2 starts ...
Today is 22May2007 at 14:56: 5
Parallel version (MPI)
Number of processors in use: 2
R & G space division: proc/pool = 2
Ultrasoft (Vanderbilt) Pseudopotentials
Planes per process (thick) : nr3 = 25 npp = 13 ncplane =32400
Planes per process (smooth): nr3s= 20 npps= 10 ncplanes=18225
Proc/ planes cols G planes cols G columns G
Pool (dense grid) (smooth grid) (wavefct grid)
1 13 10033 165487 10 6024 76934 1839 12969
2 12 10032 165486 10 6025 76937 1840 12968
0 25 20065 330973 20 12049 153871 3679 25937
nbndx = 24 nbnd = 24 natomwfc = 30 npwx = 9644
nelec = 40.00 nkb = 50 ngl = 44065
negative rho (up, down): 0.367E-01 0.000E+00
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from phq_readin : error # 1
no elec. field with metals
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
[0] MPI Abort by user Aborting program !
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