Symmetry and band structure I. Selection of reciprocal lattice vectors

Abstract

A brief account is given of the rôle played by three-dimensional crystallographic point and space groups and their representations in computer programs in crystal physics. It covers their use in specific applications, for example energy band programs and lattice dynamics programs, together with their use in those programs written to calculate, for example, irreducible characters and matrix representatives, selection rules, Clebsch-Gordan coefficients, etc., which have general application in crystal physics.