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Re: How to get Hamiltonian of a material?

Alex Granovsky
gran@classic.chem.msu.su

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
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>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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