Kpath input documentation

Initialize k-path with spacing dk connecting points.

Used to initialize class qimpy.lattice.Kpath.

YAML template:

dk: 0.0       # Maximum distance between adjacent points on k-path.
points: null  # List of special k-points [kx, ky, kz, label] along path.

Parameters:

dk

Type: float, Default: 0.0

Maximum distance between adjacent points on k-path. (Units: \(a_0^{-1}\).)

points

Type: list or null, Default: null

List of special k-points [kx, ky, kz, label] along path. Each point should contain three fractional coordinates (float) and optionally a string label for this point for use in band structure plots.