wannier hamiltonian

[Alin Marin Elena]

Dear All,

I try to damp to file the Hks hamiltionian in the basis of the wannier 
orbitals. 

At the moment I "abused" cp2k into getting what I want from it... via the 
molecular states..

I will much appreciate any suggestions and help in how to generate this 
hamiltonian in a form that can be committed back to cp2k.

regards,

Alin



-- 
I force myself to contradict myself in order to avoid conforming to my own 
taste. -- Marcel Duchamp
 Without Questions there are no Answers!
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 Alin Marin ELENA
 Advanced Molecular Simulation Research Laboratory
 School of Physics, University College Dublin
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 Ardionsamblú Móilíneach Saotharlann Taighde
 Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath
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 http://alin.elenaworld.net
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