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