Voronoi Module

The Voronoi procedure allocates all the space within a structure, including cavities or defects, to its constituent atoms by constructing around each atom a minimally sized polyhedron (called a Voronoi polyhedron). The faces of a Voronoi polyhedron are formed by planes perpendicular to vectors between an atom and its neighbors, and the edges of a polyhedron result from the intersection of these planes. In Voronoi polyhedra analysis, the number of Voronoi polyhedra and the number of faces (polygons) of Voronoi polyhedra are calculated.