[Wannier] Finally, I have notice the error why I can't generate *.xsf file

[Jonathan Yates]

On 26 Jul 2007, at 15:45, r95222066 at ntu.edu.tw wrote:

>
>
>   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 ?
>

No, the above is fine.
  It just means your MLWF can be chosen to be very real. Which is not  
surprising if they are localised atomic-like states with little  
dispersion (ie the minimiser doesn't have to do any real work).

If you are still not seeing the *.xsf files, then I am confused. You  
are clearly entering and exiting the plotting routine. I can only  
suggest re-running with a different compiler/machine.

  If that fails; as a last resort.

1- Rerun the calculation from scratch
2- type  'ls -alt > dir.dat'
3- send that file + inputs and output directly to Arash and myself  
(note I won't reply for a week). ie *.scf *.nscf *.pw2wan *.win  
*.wout etc

  Jonathan


--
Dr Jonathan Yates         |    Theory of Condensed Matter Group
Corpus Christi College    |    Cavendish Laboratory
Cambridge, CB2 1RH, UK    |    Cambridge, CB3 OHE, UK
email jry20 at cam.ac.uk     |    Tel +44 (0)1223 337461