[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

You may have a look at the case.outputt file (generated by tetra), where
the 1st column corresponds to the energy in Ry, the second column to the
density of states and the third one to the Integrated density of states.
The Integrated density of states would give you the number of electrons
up to a particular energy (i.e. corresponding energy in the 1st column).
In the same file, you may also find the no. of electrons up to the Fermi
level.

-- 
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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
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