[QE-users] Enquiry about the Computation of Graphene/Co

[Kenan Song]

Dear All,

I am trying to use Quantum Espresso (QE) to compute Graphene/Co system.
However, QE gives me a quite different band structure from that given by
VASP. I think that I did not choose the proper pseudopotential to describe
this system. I upload my computational files into dropbox so that you could
refer to them through the dropbox.

Would anyone please help me double check my input files from QE and see
whether the problem comes from the pseudopotential or something else? If
the problem mainly comes from the pseudopotential, would anyone please
recommend a proper pseudopotential for Graphene/Co system to me? Thank you
very much for your help.

Kind regards,

Kenan Song

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