[QE-users] HSE Bandstructure with bigger q-Grid possible

Christoph Wolf wolf.christoph at qns.science
Fri Feb 1 12:40:54 CET 2019


Hallo Lukas,

you can also give the "open_grid.x" example a shot; just do a scf
calculation with empty bands included at an arbitrarily fine q-grid and go
though wannier using open_grid.x; I wrote a more detailed tutorial about it
somewhere, it seems to be working really well if you know how to wannierize
your bands!

HTH!
Chris

-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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