Hi
Recently, I found out in an article that the author calculated the Pauli
repulsion between graphene and Ni(111),the calculations were carried out with
the VASP software package.And I know exchange energy is associated with the
Pauli exclusion principle,so can I think that the value of Pauli exclusion is
equal to the exchange energy's?If my point of view is correct, how could I
calculate it with QE6.3?
https://pubs.acs.org/doi/10.1021/jp210667f
Wei gui
School of Mechanical Engineering，Chongqing University, China
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