Hi there, Stephen.
I do not know if I got your point, but the k-grid does not depend on the
atomic basis. It depends on the crystal lattice itself.
In QE you can define the Monkhorst-Pack k-point sampling by just setting
the option automatic after the card K_POINTS (
Hi Everyone,
I just wanted to ask about the sort of k-point grids one would use for
larger crystals (about 20 basis atoms). I've tried experimenting with
different k-point densities with the crystal Co3Sn2S2 (7 basis atoms), and
found that increasing the k-point grid density for scf calculations
