[Wannier] Fwd: Re: [Pw_forum] wannier interpolation for hybrids

[Vojtěch Vlček]

>On 02/05/15 12:32, Nicola Marzari wrote:
>
>>* For hartree-fock and for hybrids - would it be enough to ask
*>>* pwscf to write out the wavefunctions for all the k-points related
*>>* to the ones used in the IBZ, just applying the symmetry operations
*>>* it found?
*>>>Yes,
>actually as a part of the EXX calculation pw.x *already* computes the
>wavefunction in all symmetry-related k-points! So it would just be
>question of writing them down.


Thanks! Since this seems to be utterly trivial task which can be
implemented ad-hoc in the version I use at the moment, could you maybe
point me to the subroutines which handle this. I assume that the
"verbosity" of the output can be changed by simple commenting out certain
parts of the respective subroutines; or is this a bit trickier than I
imagine at the moment?

Also can it be alternatively changed in the Wannier90 such that it reads in
the Bloch states from the IBZ  and uses the symmetry to construct the whole
BZ?

Kind regards,

Vojta
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