[Wien] PDOS and total DOS of atom

[Donghui Guo]

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


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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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