[Wien] DOS of Fe-s

[strutza at bgumail.bgu.ac.il]

> Hello wien2k users,
> 
> I got DOS of Fe-s as you can see in the attachment file.
> But this round shape seems to me strange. 
> 
>  
> Here is a file case.int:
> 
> Header from FeAl111RELA.qtlup:
> 
>  ATOM  1  tot,0,1,2,D-eg,D-t2g,3                       
>  ATOM  2  tot,0,1,2,D-eg,D-t2g,3                       
> 
> 
> FeAl
>  -0.50 0.002 1.500 0.003   EMIN, DE, EMAX, Gauss-broadening(>;de)
>     5                      NUMBER OF DOS-CASES specified below
>     0    1   total         atom, case=column in qtl-header, label
>     1    1   Fe s
>     2    2   Al s
>     2    3   Al p
>     2    1   Al tot
> 
> 
> Please if any one can explain this shape or what is wrong.
> 
> Regards
> Angelica
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