[Wien] Problem in DOS plotting

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Sep 10 08:08:18 CEST 2010


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> I have tried to compute the band structure and DOS of DySb (spin-up)
> using LSDA+U with U=0.5 Ry. The total DOS and f-bands peaks are
> seperated while total DOS must overlap each other which is not seen in
> present case (as is evident from the figure).
>
> Regards and thanks,
>
> Subhra Kulshrestha
>
>
>
>
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-- 
Peter Blaha
Inst.Materialchemie, TU Wien
Getreidemarkt 9
A-1060 Vienna
Austria


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