[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190201/b4d2f672/attachment.html>
More information about the users
mailing list