[Pw_forum] Bandstructure plot with HSE
mkondrin
mkondrin at hppi.troitsk.ru
Fri Jul 31 16:40:26 CEST 2015
DHIRENDRA VAIDYA wrote:
> Hi,
>
> As HSE doesn't allow nscf calculations, its not possible to plot a
> bandstructure along high symmetry lines. I am wondering if I can use
> wannier90 post processing after HSE-scf calculations?
> Can anyone please provide an expert comment?
>
> Thanks,
> Dhirendra
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Just wondering, isn't it would be better to use some 3D interpolation
procedure and coerce bandstructure values defined on some regular
Monkhorst-Pack grid to some special lines in BZ?
Best regards,
M.V.Kondrin,
High Pressure Physics Institute, RAS
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