5.12. kpointsΒΆ

Generate k-points and sample band paths.

Classes

KPoints

KPoints object that holds k-points properties and build methods.

Functions

bandpath

Generate sampled band paths.

gamma_centered

Generate a Gamma-point centered mesh of k-points.

get_brillouin_zone

Generate the Brillouin zone for given lattice vectors.

kpoint_convert

Convert scaled k-points to cartesian coordinates.

kpoints2axis

Generate the x-axis for band structures and the respective band path.

monkhorst_pack

Generate a Monkhorst-Pack mesh of k-points, i.e., equally spaced k-points.