Dear Kenan
when you send attachment via dropbox it would be much easier for the
other users to read them if you collected them in an archive and sent a
link to the archive directly in the main message.
kind regards - Pietro
On 04/15/2019 01:26 PM, Kenan Song wrote:
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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