Single-phonon X-ray scattering

Published: 1 January 1986| Version 1 | DOI: 10.17632/mpmzht9g9m.1
John S. Reid


Abstract Title of program: SPHZB86 Catalogue number: AALZ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: Honeywell 66/80; Installation: University of Aberdeen Operating system: GCOS8 Programming language used: FORTRAN 77 High speed storage required: 37 Kwords, plus eigendata file No. of bits in a word: 36 Peripheral used: lineprinter No. of lines in combined program and test deck: 1710 Title of program: SPHZB86 Catalogue Id: AALZ_v1_0 Nature of problem Determination of single-phonon diffuse X-ray scattering in lines, areas or volumes of reciprocal space at any temperature, using eigendata given by a lattice dynamical model. Evaluation of contribution to one- phononscattering from ionic deformations, modelled by a shell model. Versions of this program held in the CPC repository in Mendeley Data AALZ_v1_0; SPHZB86; 10.1016/0010-4655(86)90009-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Surface Science, Condensed Matter Physics, Crystallography, Computational Physics