[Wien] DOS : missing electrons

[Abir De Sarkar]

Dear Stefaan,

Thanks for your reply. The no. of electrons calculated by another 
DFT-code (with pseudopotential approximation) over the specified energy 
range comes out to be 209 which is very close to 200 i.e., the number 
expected. We are under the impression that  probably nothing is wrong 
with the case.qtl file. However, some serious error is committed by the 
tetra program in projecting the partial DOS.

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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