Group-theoretical analysis of lattice vibrations

2019-12-06T07:40:11Z (GMT) by T.G. Worlton J.L. Warren
Title of program: GROUP THEORY OF LATTICE DYNAMICS Catalogue Id: ACMI_v1_0 Nature of problem The program block-diagonalizes the dynamical matrix characterizing lattice vibrations of solids, constructs symmetry coordinates, and labels these coordinates with the irreducible representations of the symmetry group. ADAPTATION SUMMARY: Vol:Year:Page 4:1972:249 "0001 EXTERNAL MODES" "External modes of molecular crystals." T.G. Worlton ADAPTATION SUMMARY: Vol:Year:Page 6:1973:149 "0002 IMR CALCULATION" "Irreducible multiplier representations." T.G. Worlton CORRECTION SUMMARY: Vol:Year:Page 8:1974:141 "B00ACORRECTION TO 0002 04/08/74" "Irreducible multiplier representations. (C.P.C. 6(1973)149)." T.G. Worlton Note: adaptation instructions are contained in source code Note: correction instructions are contained in source code 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)