EPW Forum • Units of K-points in Band strucutre?

Page 1 of 1

Units of K-points in Band strucutre?

Posted: Tue May 19, 2020 7:52 pm

by Gautam Sharma Monty

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?

Re: Units of K-points in Band strucutre?

Posted: Wed May 20, 2020 2:13 pm

by hlee

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