[Pw_forum] wannier interpolation for hybrids

Vojtěch Vlček vojtech.vlcek at gmail.com
Fri May 1 18:48:38 CEST 2015


Dear All,

I would like to ask whether there is a possibility of using Wannier90 to
create band structures for systems calculated with hybrid functionals in
Quantum Espresso. More specifically, as far as I understand Wannier90 needs
Bloch states calculated on a regular grid of k-points, i.e. grid that is
not reduced by symmetry.

Since hybrid calculations cannot be used in a non-self-consistent way to
produce a regular k-point grid after the actual self-consistent
calculation, is it the only way to use "full" k-point grid from the
beginning (i.e. not reduced by symmetry) or is there a way around it?

Kind regards,

Vojta
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