[Pw_forum] Help for Calculating Organic Crystal Band Structure

[Paolo Giannozzi]

On Mar 23, 2011, at 13:04 , ANUP THOMAS wrote:

>  I, Anup Thomas, a novice in this field of solid state structure  
> simulation.

novices should first of all read some literature introducing to the  
subject.

> I would like to perform band structure calculations for some  
> organic crystals.

>

see the discussion on van der Waals bonded systems.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222