[Wien] occupation electrons number of each band

[Torsten Andersen]

Dear Mr. Sun,

excuse me for being blunt, but why don't you just ask the authors where 
they got that from. Their e-mail addresses are in the article.

I don't recall having seen these statistics directly. But then again, I 
haven't looked for them...

Best regards,
Torsten Andersen.

L.Z. Sun wrote:
> dear Sarkar:
> In the paper Phy.Rev.B 67,144104 (2003), according to the electrons 
> occupy the impurity state the author give a sentence as below:
> "From the present calculations the outmost impurity state has an 
> occupation of around 1.3e for 72A-SC(Cd0)"
> my question is: Did the statistics of electron occupation 1.3e give 
> directly by WIEN calculation? if does where can i find it?
> thanks advance
> L.Z.Sun 
> ------------------------------------------------------------------------
> 
> 
> L.Z. Sun wrote:
> 
>> Dear Wien2k users
>> which output files which i can find the electrons occupation 
>> number for each band?
>> thanks advance
>> L.Z.Sun
> 
> In the case.output1 file, you would find a list of eigenvalues 
> corresponding to the different k-points. For a non-spin-polarized 
> calculation, the occupancy of each energy eigenvalue is 2 and the same 
> for a spin-polarized calculation is 1. The valence band is clearly 
> apparent in the list of eigen values as it usually starts at around -1 Ry.
> 
> -- 
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> Abir De Sarkar                     
> Fritz-Haber-Institut der Max-Planck-Gesellschaft, 
> Abteilung Theorie (Theory Department), Office : T 1.03
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> ------------------------------------------------------------------------

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/