Dear Sir,
I am trying to compute effective masses for band structure computed with Gau-PBE hybrid calculations. I want to know the units of k-points in wannier interpolated band structure?
Is it 1/angstrom or 2pi/angstrom or 1/bohr or 2pi/bohr?
Units of K-points in Band strucutre?
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Gautam Sharma Monty
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Re: Units of K-points in Band strucutre?
Dear Gautam Sharma Monty:
I am not sure, but I guess that the unit is 1/Ang.
However, in order to get the exact answer you should post this type of question related to Wannier90 (W90) to the W90 mailing list ( https://lists.quantum-espresso.org/mail ... fo/wannier ).
Sincerely,
H. Lee
I am not sure, but I guess that the unit is 1/Ang.
However, in order to get the exact answer you should post this type of question related to Wannier90 (W90) to the W90 mailing list ( https://lists.quantum-espresso.org/mail ... fo/wannier ).
Sincerely,
H. Lee