[Wien] occupation electrons number of each band

[Abir De Sarkar]

L.Z. Sun wrote:

> Dear Wien2k users
> which output files which i can find the electrons occupation numberfor
> 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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e-mail : sarkar at fhi-berlin.mpg.de  
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WWW : http://www.fhi-berlin.mpg.de/th/member/desarkar_a.html
      http://www.fhi-berlin.mpg.de/th/reuter/catalysis.html
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