[Wien] occupation electrons number of each band

[L.Z. Sun]

dear  Andersen
thanks for you remind, i have found the e-mail of the author.
best regards,
L.Z.Sun



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.
>>  
>>  -- 
>>  ************************************************************
>>  Abir De Sarkar                     
>>  Fritz-Haber-Institut der Max-Planck-Gesellschaft, 
>>  Abteilung Theorie (Theory Department), Office : T 1.03
>>  Faradayweg 4-6, D-14195 Berlin (Germany)
>>               (http://www.fhi-berlin.mpg.de/th)  
>>  e-mail : sarkar at fhi-berlin.mpg.de  
>>  PHONE: +49 30 8413 4852          FAX: +49 30 8413 4701
>>  WWW : http://www.fhi-berlin.mpg.de/th/member/desarkar_a.html
>>        http://www.fhi-berlin.mpg.de/th/reuter/catalysis.html
>>  ************************************************************
>>  
>>  ------------------------------------------------------------------------

-- 
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/

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