[Pw_forum] Error (impossible value for nrc) in g-tensor calculation
wangxinquan at tju.edu.cn
wangxinquan at tju.edu.cn
Thu Jul 31 10:23:48 CEST 2008
Dear all:
Recently,I used espresso-4.0 to calculate the g-tensor of Zr3+ in
ZrO2.Firstly, scf calculation has been completed successfully. Consequently a
g-tensor calculation by GIPAW was crashed. The error message is shown as
following:
---------------------------------------------------------------------------------
from init_gipaw_1 : error # 1
impossible value for nrc
---------------------------------------------------------------------------------
The output file is shown as following:
---------------------------------------------------------------------------------
Planes per process (thick) : nr3 = 60 npp = 60 ncplane = 3600
Planes per process (smooth): nr3s= 36 npps= 36 ncplanes= 1296
Proc/ planes cols G planes cols G columns G
Pool (dense grid) (smooth grid) (wavefct grid)
1 60 2553 96561 36 1005 24303 301 3959
ZZZ: 0.000000000000000E+000 0.000000000000000E+000 0 0
---------------------------------------------------------------------------------
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