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 -- This message and its contents, including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email.
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