[Pw_forum] Help for Calculating Organic Crystal Band Structure

[xirainbow]

I am fully convienced that pwscf can deal with organic crystal. But, I
have no example.

On 2011-03-23, ANUP THOMAS <anupvthomas at gmail.com> wrote:
> Dear All
>
>         I, Anup Thomas, a novice in this field of solid state structure
> simulation. I would like to perform band structure calculations for some
> organic crystals. In my limited knowledge i could not find any one using
> Pwscf for organic crstals band structure. Would any one please let me know
> Pwscf can simulate the data?
>
>       I will appreciate very much if you can give me more advices.
>
>
>
> --
> Regards
>
> Anup Thomas
> SRF 7123
> Computational Chemistry Lab of I and PC Division
> Indian Institute of Chemical Technology
> Hyderabad 500007
> India
>
>
> "Praise the Lord, all you nations; extol him, all you peoples.
> For great is his love toward us, and the faithfulness of the Lord endures
> forever.
> Praise the Lord"
>


-- 
____________________________________
Hui Wang
School of physics, Fudan University, Shanghai, China