[Pw_forum] Si Bandstructure in HSE: Wannier90

DHIRENDRA VAIDYA dhirendra22121987 at gmail.com
Sun May 17 01:59:29 CEST 2015


So far PWSCF provides little help in Silicon bandstructure using HSE. But
from PWSCF forum it is clear to me now that in HSE nscf calculations cannot
be performed. The VASP method of zero weights on KPOINTS doesn't work due
to an error ' k+q is not an s*k'. I had some success in using Wannier90 as
post processing tool. Is it the right way to obtain the bandstructure of Si?

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