Units of K-points in Band strucutre?

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Gautam Sharma Monty
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Joined: Mon Oct 22, 2018 10:31 am
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Units of K-points in Band strucutre?

Post 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?

hlee
Posts: 415
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: Units of K-points in Band strucutre?

Post 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

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