[Pw_forum] Bandstructure with HSE06

[Vipul Shivaji Ghemud]

Hi all,
I wanted to do bandstructure calculation with HSE06. Is it necessary to do
nscf (calculation = bands), and then move on to bands.in and plotband.in.

Or, as we do in case of DOS i.e. nscf is not needed if we add hybrid to
our calculation, we can directly run dos; do we move to bands.in directly
after scf with hybrid? Because hybrid flags are not compatible with NSCF,
there is a huge difference in the energy levels also for scf (with HSE06)
and nscf (without HSE06).


-- 
Vipul S. Ghemud
Ph.D. student.
Dept of Physics,
SPPU, Ganeshkhind,
Pune- 411007.