emmet.core.band_theory

Define basic schema for band theoretic properties.

Functions

get_path_from_bandstructure

Get the list of high-symmetry points in a band structure.

obtain_path_type

Try to match a band structure path order to known path orders.

Classes

BAND_GAP_TOL

Convert a string or number to a floating point number, if possible.

BandStructure

Define the schema of band structures.

BandTheoryBase

ElectronicBS

Define an electronic band structure schema.

ElectronicDos

Electronic density of states (DOS) with possible projections.

ProjectedBS

Light memory model for projected band structure data.

ProjectedDos

Atom and orbital projected DOS.

TYPE_CHECKING

bool(x) -> bool