[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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