[Wien] PDOS and total DOS of atom

[Peter Blaha]

total DOS is multiplied with MULT, partial DOS not!

Donghui Guo schrieb:
> Dear all wien2k users and Prof. Blaha,
> 
> I am comparing partial DOS and total DOS of certain atom. 
> As I known, the interstitial DOS is included in the total DOS of the whole unit cell ("0 1" in case.int). I think the sum of partial DOS of certain atom should be equal to the total DOS of the atom, because they are both considering the density in the sphere. But in my calculation, there is a difference between total DOS of P and sum of PDOS, P3s and P3p. 
> Could you please tell me where this difference come from?
> Thank you!  
> 
> Best regards, 
> Yours, 
> Donghui Guo
> 2009-03-04
> 
> 
> ************************************************
> Donghui Guo 
> Catalysis Research Center (CRC)
> Hokkaido University
> 21-10 Kita, Sapporo 001-0021
> Japan
> dhguo at cat.hokudai.ac.jp
> TEL: +81-11-706 9114 (office)
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> 
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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