[Wannier] Unit of velocities in geninterp

Vahid Askarpour vh261281 at dal.ca
Thu Mar 19 11:28:58 CET 2020


Dear Wannier90 Users,

I have posted this on QE forum but the Wannier90 forum may be more appropriate.

In the postw90 folder, in file boltzwann.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 (2pi/ang), energies (eV) and velocities (no units). Even the Wannier90 User guide does not specify the unit for velocities. 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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