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 > [email protected] > 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
