[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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