wulfric.constants#

Atoms#

wulfric.constants.ATOM_SPECIES

All possible atom species.

wulfric.constants.ATOMIC_MASS

Atomic mass

wulfric.constants.ATOM_COLORS

Atom colors that are used by default

Setyawan and Curtarolo convention#

wulfric.constants.SC_BRAVAIS_LATTICE_SHORT_NAMES

Short names of the Bravais lattices.

wulfric.constants.SC_BRAVAIS_LATTICE_LONG_NAMES

Long names of the Bravais lattices.

wulfric.constants.SC_CONVENTIONAL_TO_PRIMITIVE

Transformation matrices from conventional cell to primitive cell.

wulfric.constants.SC_BRAVAIS_LATTICE_VARIATIONS

List of all possible variations of the Bravais lattices.

wulfric.constants.SC_DEFAULT_K_PATHS

Default k-path for each variation of Bravais lattices.

Hinuma, Pizzi, Kumagai, Oba, Tanaka convention#

wulfric.constants.HPKOT_CONVENTIONAL_TO_PRIMITIVE

Transformation matrices from conventional cell to primitive cell.

wulfric.constants.HPKOT_DEFAULT_K_PATHS

Default k-path for each extended Bravais lattice symbols.

wulfric.constants.HPKOT_EXTENDED_BL_SYMBOLS

Extended Bravais lattice symbols.

Kpoints#

wulfric.constants.HS_PLOT_NAMES

Names of high-symmetry k points written in LaTex.

Angle conversion#

wulfric.constants.TODEGREES

Constant that converts radians to degrees.

wulfric.constants.TORADIANS

Constant that converts degrees to radians.

Space Groups#

wulfric.constants.INVERSION_SYMMETRY

Whether the space group has inversion as a symmetry operation or not.

wulfric.constants.CRYSTAL_FAMILY

Crystal family of every space group.

wulfric.constants.CENTRING_TYPE

Centring type of every space group.

Bravais lattices#

wulfric.constants.BRAVAIS_LATTICES

Symbols of Bravais lattices.