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Re^2: How to get Hamiltonian of a material?

Siddheshwar Chopra

I need Hamiltonian for both of these.

Kind Regards,

On Mon Mar 14 '16 6:26pm, Alex Granovsky wrote

>what type of Hamiltonian do you need? Vibrational? Electronic? Something else?

>Kind regards,
>Alex Granovsky
>On Fri Mar 11 '16 12:24pm, Siddheshwar Chopra wrote
>>Dear All,
>>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.


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