Numerical calculations of the irreducible representations of space groups

Published: 1 January 1975| Version 1 | DOI: 10.17632/hg4khs5t7y.1
N. Neto


Abstract Title of program: SPACE GROUP REPRESENTATIONS Catalogue number: ACUA Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: CII 10070 CDC6600 Installation: Università di Firenze Operating system: SIRIS 7 Progra... Title of program: SPACE GROUP REPRESENTATIONS Catalogue Id: ACUA_v1_0 Nature of problem The program computes the irreducible representations of any space group of k, G(k), where k is a wave vector in the first Brillouin zone. For each irreducible representation of G(k) a set of matrices, one for each space group coset representative, is obtained. No particular choice of origin of the coordinate system in a space group G is required. Versions of this program held in the CPC repository in Mendeley Data ACUA_v1_0; SPACE GROUP REPRESENTATIONS; 10.1016/0010-4655(75)90010-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Surface Science, Condensed Matter Physics, Computational Physics