wulfric.cell.get_wigner_seitz_cell#

wulfric.cell.get_wigner_seitz_cell(cell)[source]#

Computes Wigner-Seitz cell.

It assumes that given cell contains one lattice point.

Parameters:
cell(3, 3) array-like

Matrix of a cell, rows are interpreted as vectors.

Returns:
vertices(M, 3) numpy.ndarray

M vertices of the Wigner-Seitz cell. Each element is a vector \(v = (v_x, v_y, v_z)\) in absolute (Cartesian) coordinates.

edges(N, 2) numpy.ndarray

N edges of the Wigner-Seitz cell. Each elements contains two indices of the vertices forming an edge. Edge i is between points vertices[edges[i][0]] and vertices[edges[i][1]].