[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
> ------------------------------------------------------------------------
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
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



More information about the users mailing list