[Pw_forum] Fwd: Energy of one metal atom

[Abhishek Mishra]

Dear all,

I wan to calculate energy of one Cu atom, what will be your suggestion?
calculating it by placing one copper atom in a bigbox or  calculating bulk
energy and dividing it by no of atoms(4)?, in later case then whether I
need to do something with cohesive energy as well?

Many thanks in advance.

Best regards,

Abhishek Mishra
TSU, JNCASR, Bangalore
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