Dear QE community,
I used pbe and pbe0 functional to calculate the electronic band structure of cubic Zn2GeO4 materials , respectively. And calculation result based on pbe functional shows that the maximal valence band is located at the Gamma point, while the result based on the pbe0 functional shows that the the maximal valence band is located at the K point. And the energy difference between K and Gamma point is about 4 meV.
Is it normal to obtain different positions for the maximal valence band if different functionals are applied? If not, why this state happens and how can I correct it?
Looking forward to getting your reply! Thank you very much!
Best regards,
Jingjing
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M.Sc. Jingjing Yu
Universität Leipzig
Felix-Bloch-Institut für Festkörperphysik
Halbleiterphysik
Linnéstraße 5
04103 Leipzig, Germany
Felix-Bloch-Institut für Festkörperphysik
Halbleiterphysik
Linnéstraße 5
04103 Leipzig, Germany
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