[Wien] DOS-Question -Fe

[Sherif Yehia]

Dear Wien user

  I would like to learn how to plot (DOS) I started
with Fe following 
Prof. S. Cottenier Chapter 6 page 28 with the
following case.int file
bcc-Fe
 -0.50 0.001 3.000 0.003   EMIN, DE, EMAX,
Gauss-broadening(>;de)
    7                      NUMBER OF DOS-CASES
specified below
    0    1   Cryst-tot     atom, case=column in
qtl-header, label
    1    1   Fe-tot  
    1    2   Fe-s
    1    3   Fe-p
    1    4   Fe-d
    1    7   Fe-F 
    2    1   Inter  

1-I used case 6 to get the plot for Fe-f dos
the attached file for f-dos is different than the one
in the note
is it labeling problem or I did something wrong? I
used for my calculation
2000 k with the latest version of Wien2k
I hope someone can clarify my mistakes
2-Could I know how to trace the way the program
identify that
each column belong to each state in the case.qtl i.e.
how did 
the program tell that this column is number 7 and for
f-dos

bcc-Fe
 -0.50 0.001 3.000 0.003   EMIN, DE, EMAX,
Gauss-broadening(>;de)
    7                      NUMBER OF DOS-CASES
specified below
    0    1   Cryst-tot     atom, case=column in
qtl-header, label
    1    1   Fe-tot  
    1    2   Fe-s
    1    3   Fe-p
    1    4   Fe-d
    1    7   Fe-F 
    2    1   Inter   looking at the case.qtl.

Thanks all for effort and patience


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