WignerSeitzCell

class ifermi.brillouin_zone.WignerSeitzCell(reciprocal_lattice, vertices, faces, centers, normals)

Bases: ReciprocalCell

WignerSeitz cell of the reciprocal lattice.

Variables:

• reciprocal_lattice – A (3, 3) float array of the reciprocal lattice vectors.

• vertices – A (n, 3) float array of the vertices of the Brillouin zone edges.

• faces – A (m, 3) int array of the faces of the Brillouin zone.

• centers – A (m, 3) float array of the face centers.

• normals – A (m, 3) float array of the face normal.

classmethod from_structure(structure)

Initialise the Wigner-Seitz cell from a structure.

Parameters:

structure (Structure) – A structure.

Return type:

WignerSeitzCell

Returns:

An instance of the cell.