[Wien] bug in DOS input file?

[Viktor Zano]

Dear WIEN2K users
I'm trying to make Density of states plot.
After I  configure the input-file for TETRA (case.int), excut it, usually editing that case.int file doesn't give me the states that I configure. I think that this is a long time bug.
Does anyone know how to deal with it?
For instance: 
After configuring "total  2 tot,d,d-eg,d-t2g 3 tot,d,d-eg,d-t2g" (without blanks in strings) I get the case.int:
Title
 -0.50 0.002 1.500 0.003  # EMIN, DE, EMAX, Gauss-broadening(>;de)
    1    N   0.000        # NUMBER OF DOS-CASES specified below, G/L/B broadening (Ry)
    0    1   total        # atom, case=column in qtl-header, label
    1    1   Atom1 tot  
    1    2   Atom1 s
    1    3   Atom1 p
    2    1   Atom2 tot  

or something more complicated (composed with 2 parts)
Title
 -0.50 0.002 1.500 0.003  # EMIN, DE, EMAX, Gauss-broadening(>de)
    1    N   0.000        # NUMBER OF DOS-CASES specified below, G/L/B broadening (Ry)
    0    1   total        # atom, case=column in qtl-header, label
    1    1   Atom1 tot  
    1    2   Atom1 s
    1    3   Atom1 p
    2    1   Atom2 tot  


phase7_SP             #Title
 -1.000   0.00250   1.200  0.003     #Emin, DE, Emax, Gauss-Broad
     5                               #Number of DOS
     0 1 total-DOS
     2 1 tot-Fe1
     2 7 d-Fe1
     3 1 tot-Fe2
     3 7 d-Fe2

Is anyone knows all the codes the edit manualy? meaning "2 7 d-Fe1" is atom2 (which is Fe1), d electrons. But what is the code 2 dz2, dx2y2, etc. or d-t2g and t-eg?

Thanks, Victor





____________________________
Victor Y. Zenou
PhD student
Department of Materials Engineering 
BGU‎
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