Improved version of group-theoretical analysis of lattice dynamics

Published: 1 January 1974| Version 1 | DOI: 10.17632/mrvv4bjjy2.1
J.L. Warren, T.G. Worlton


Title of program: GROUP THEORY LATTICE DYNAMICS 2 Catalogue Id: ACMI_v2_0 [ACMM] Nature of problem The original version of the program symmetry-reduced the dynamical matrix characterizing lattice vibrations of solids, constructed symmetry coordinates which were labeled by the irreducible multiplier representationsof the group of the wavevector, and block-diagonalized the dynamical matrix. This improved version of the program allows one to calculate the symmetry properties of the external modes of vibration of molecular crystals, to generate the irreducible multiplier representation (IMR's), a ... Versions of this program held in the CPC repository in Mendeley Data ACMI_v1_0; GROUP THEORY OF LATTICE DYNAMICS; 10.1016/0010-4655(72)90058-6 ACMI_v2_0; GROUP THEORY LATTICE DYNAMICS 2; 10.1016/0010-4655(74)90057-5 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