Dear all. I am asking the question again as I was unable to find reply
to my previous post.
Can any please me guide me on how to calculate the band structure and
band gap of a material using hybrid calculations? I have a few
questions. 1. How do we perform an NSCF calculation in hybrid scheme (as
far as I know, It is NOT implemented in QE yet) 2. If NSCF is not done
in hybrid scheme, how do we represent the k-path for band structure and
how the band structure is evaluated? 3. How do spin-orbit coupling, SOC,
is exploited and what are prerequisites for doing hybrid calculations
including SOC? I shall be highly indebted for help. Regards msaqlain
Bilkent Uni. Ankara
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