wannier hamiltonian

Alin Marin Elena alinm... at gmail.com
Wed Mar 16 20:47:43 CET 2011


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!
 _____________________________________________________________________
 Alin Marin ELENA
 Advanced Molecular Simulation Research Laboratory
 School of Physics, University College Dublin
 ----
 Ardionsamblú Móilíneach Saotharlann Taighde
 Scoil na Fisice, An Coláiste Ollscoile, Baile Átha Cliath
 -----------------------------------------------------------------------------------
 http://alin.elenaworld.net
 ______________________________________________________________________



More information about the CP2K-user mailing list