[Wien] Very elemental questions...

[Gerhard Fecher]

just read
Richard M. Martin
Electronic Structure (Basic Theory and Practical Methods)
Cambridge University Press 2004

Ciao Gerhard

PS.: If you stand in front of a mirror, then youre right and left hands are interchanged.
Why not youre head and feet?

________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Gerardo Felix Martinez [gjfelix2005 at gmail.com]
Gesendet: Mittwoch, 5. März 2008 05:10
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Very elemental questions...

Hi dear Wien2k users!!! i'm trying to understand as much as possible how Wien2k works in some specific things, but i can't understand it fully. That's why i'm  asking you for your help answering this questions:

- How is the DOS calculated by Wien2k?? I mean, how can this process  be explained in the simplest way possible.
- The same question for the Band Structure.
- How the Exchange-Correlation term is explained??, i mean, these terms corresponds to ...???
- Why the Total Energy for my calculated systems it's negative???

I hope you can help me.. Thanks a lot in advance.