[WIEN] DOS question

[Andrei Postnikov]

On Wed, 5 Nov 2003, Yam Chi Yung wrote:

| Dear all wien users,
|
| I tried to calculate the electronic structure of KI. However, when I
| integrate the density of states up to the Fermi level, I found that it
| does not equal to the number of electrons. What was the problem?


... and in addition to what has already been said,
if your difference is a nearly integer number, then it might be of course
due to semcoere states which contribute to the total number of
electrons, but probably are not included in your DOS window.

(Or if they are included, it's even worse:
the integration of a nearly zero-width peak is of course very inaccurate).

Best regards,

Andrei Postnikov

 +-- Dr. habil. Andrei Postnikov ----- Tel. +49-541-969.2377 -- Fax .2351 ---+
 | Universitaet Osnabrueck - Fachbereich Physik, D-49069 Osnabrueck, Germany |
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