[QE-users] Enquiry about the Choice for the Pseudopotential

[Kenan Song]

Dear Sir/Madam,

I used Quantum Espresso (QE) to compute the band structure for the same
system that I examined by VASP but QE gives me very different band
structure from that given by VASP, including both of the band shape and
energy.

I think that the remain reason comes from the pseudopotential I choose is
not proper. VASP provides the pseudopotential for Co element with 9 valence
electron; while, QE provides one with 27 valence electrons. Would you
anyone please tell me how to choose or generate a proper pseudopotential?
Thank you.

Kind regards,

Kenan Song

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