[Wien] Very elemental questions...

Gerardo Felix Martinez gjfelix2005 at gmail.com
Wed Mar 5 05:10:05 CET 2008


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.
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