[Q-e-developers] A suggestion for contribution

[Mohsen Modaresi]

Dear Q. E developers,
I am working with Esperesso and other DFT codes like SIESTA. Although the
DFT methods are quite reliable but they are expensive for many users. One
of the solution is to fit the DFT and tight-binding results of small
structures and obtain the tight-binding parameters. These parameters could
be very helpful in the calculation of bigger structures. For example, the
calculation of Graphene parameters can lead us to CNT,GNR and other
structures. The number of fitted parameters and considered bands can be
large enough to produce a very good agreement between the DFT and TB.
Our team worked on this subject and we are ready for contribution with QE.

Best Reagrds,
-- 
Mohsen Modarresi,
PhD student of Solid State Physics, Ferdowsi University of Mashhad, Iran.
Phone +98-9133452131
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