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How to get Hamiltonian of a material?
I need to knnow the Hamiltonian of Graphene (of certain dimensions). I have performed the ground state optimization+ Hessian calcs. How do I get Hamiltonian for this system from the FIREFLY output? OR, if not directly, is there any method I can use for the same?
Any help would be welcomed.
Fri Mar 11 '16 12:24pm
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