[Wien] missing electrons

[Abir De Sarkar]

Dear Prof. Peter Blaha,

Thank you very much for your excellent clarification. Now, when I use 
the unshifted k-mesh, I get the right number of electrons by integrating 
the DOS (i.e. case.dos file) numerically over the valence band region. 
The no. of  k-points in the unshifted k-mesh (=9) is quite higher than  
that (=4)  in the shifted k-mesh.

With Best Regards,
Abir

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Dr. 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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