[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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