API reference#

This section gives an overview of the API for atomate2.

analysis

Isosurface and isoline analysis functions.

brillouin_zone

Brillouin zone and slice geometries.

interpolate

Tools for Fourier and linear interpolation.

kpoints

k-point manipulation functions.

plot

Tools to plot FermiSurface and FermiSlice objects.

slice

Tools to generate Isolines and Fermi slices.

surface

Tools to generate isosurfaces and Fermi surfaces.