The package Brillouin.jl conveniently reports high-symmetry k-points and paths. This is especially useful when the user specifies the chemical cell in a nonconventional way.
In the special case where a Sunny.Crystal has complete chemical information, example usage looks like this:
using Brillouin, Spglib
kp = irrfbz_path(Spglib.Cell(cryst.latvecs, cryst.positions, cryst.types))
The package Brillouin.jl conveniently reports high-symmetry k-points and paths. This is especially useful when the user specifies the chemical cell in a nonconventional way.
In the special case where a Sunny.Crystal has complete chemical information, example usage looks like this:
Which outputs:
We should make it easier and more robust. Two options:
Crystal
could store the internally builtSpglib.Cell
to facilitate integration with Brillouin.jl on the user side.Crystal
could directly store the special k-points directly.