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

Siddheshwar Chopra
sidhusai@gmail.com


Sir,
I need Hamiltonian for both of these.

Kind Regards,

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

>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.

>>Regards,


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