II. A program for computing normal modes of molecules, crystal phonon dispersion relations and structure factors for neutron inelastic scattering

Published: 1 January 1978| Version 1 | DOI: 10.17632/vxmsrdvg83.1
Contributor:
Flemming Yssing Hansen

Description

Title of program: FYFRE Catalogue Id: ACXR_v1_0 Nature of problem The calculation of normal modes in molecules and crystals based on a harmonic potential field defined in terms of any set of coordinates. ... CORRECTION SUMMARY: Vol:Year:Page 17:1979:423 "000A CORRECTION 22/12/78" "II. A program for computing normal modes of molecules, crystal phonon dispersion relations and structure factors for neutron inelastic scattering. (C.P.C. 14(1978)219)." F.Y. Hansen Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACXR_v1_0; FYFRE; 10.1016/0010-4655(78)90016-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Categories

Surface Science, Condensed Matter Physics, Computational Physics

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