[QE-users] Unit of velocities in Wannier90

Vahid Askarpour vh261281 at dal.ca
Wed Mar 18 19:10:23 CET 2020


Dear QE Community,

In the postw90 folder, in file Boltzmann.F90, it says,

 \param deleig_k    array with the band derivatives at the given k point
                               (in eV * angstrom / (2pi) as internally given by the code)

So deleig_k is the electron velocity at a given k-point. When we set 

geninterp=.true.
geninterp_alsofirstder=.true.

The postw90 output includes k-point coordinates (with units), energies (with units) and velocities (no units). Am I correct in assuming that these velocities are in eV*angstrom/(2pi)?

Thank you,
Vahid

Vahid Askarpour
Department of physics and atmospheric science
Dalhousie University
Halifax, NS
Canada


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