[Wien] Band structure not similar with DOS in LSDA+U+SOC

[Peter Blaha]

Most likely a mistake from your side, but it is hard to guess ...

Most likely you forgot a switch   -so  -orb   in some of the programs when
doing DOS or bands ....

Am 16.03.2013 08:57, schrieb SANJAY KUMAR SINGH:
> Respected Prof. P Balha Sir and all wien2k users,
>
> I am facing a problem with LSDA+U+SOC calculation.
> When i am computing band structure and DOS then it seem different
> means position of all flat f-bands in band structure  are not at same  position in DOS.
> Please comment on my issue.
>
>
>
> Regards,
>
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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