[Wannier] Finally, I have notice the error why I can't generate *.xsf file
r95222066 at ntu.edu.tw
r95222066 at ntu.edu.tw
Thu Jul 26 16:45:55 CEST 2007
Dear all,
As several days passed,I have finally notice where may be wrong .
here is wannier example1 gaas.wout,and it is correct
--------------------------------------------------------------------------------
*---------------------------------------------------------------------------*
| PLOTTING |
*---------------------------------------------------------------------------*
Wannier Function Num: 1 Maximum Im/Re Ratio = 0.033145
Wannier Function Num: 2 Maximum Im/Re Ratio = 0.031636
Wannier Function Num: 3 Maximum Im/Re Ratio = 0.030402
Wannier Function Num: 4 Maximum Im/Re Ratio = 0.033045
Time for plotting 1.633 (sec)
Total Execution Time 1.783 (sec)
-------------------------------------------------------------------------------
Here is my Batio3.wout
-------------------------------------------------------------------------------
*---------------------------------------------------------------------------*
| PLOTTING |
*---------------------------------------------------------------------------*
Calculating interpolated band-structure
Time to calculate interpolated band structure 0.047 (sec)
Calculating Fermi surface
Time to calculate interpolated Fermi surface 10.179 (sec)
Wannier Function Num: 1 Maximum Im/Re Ratio = 0.000000
Wannier Function Num: 2 Maximum Im/Re Ratio = 0.000000
Wannier Function Num: 3 Maximum Im/Re Ratio = 0.000000
Wannier Function Num: 4 Maximum Im/Re Ratio = 0.000000
Time for plotting 19.156 (sec)
Total Execution Time 32.550 (sec)
-----------------------------------------------------------------------------
The difference of gaas.wout and Batio3.wout is the Maximum Im/Re
Ratio = 0.000000 in my Batio3.wout file.
So I would like to ask is there something wrong ?
Regards
Bing-Hong Chen
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