Single-phonon X-ray scattering

✍ Scribed by John S. Reid

• Publisher: Elsevier Science
• Year: 1986
• Tongue: English
• Weight: 628 KB
• Volume: 42
• Category: Article
• ISSN: 0010-4655
• DOI: 10.1016/0010-4655(86)90009-3

✦ Synopsis

Title of program: SPHZB86 Nature of physical problem Determination of single-phonon diffuse X-ray scattering in Catalogue number: AALZ lines, areas or volumes of reciprocal space at any temperature, using eigendata given by a lattice dynamical model. Evaluation Program obtainable from: CPC Program Library, Queen's Urn-of contribution to one-phonon scattering from ionic deformaversity of Belfast, N. Ireland (see application form in this tions, modelled by a shell model. issue) Method of solution Computer: Honeywell 66/80; Installation: University of The elements of the analytic solution are assembled from a Aberdeen combination of input data, tabulated scattering factors and transformation of a minimum set of eigendata. The scattering Operating system: GCOS8 is evaluated along lines in reciprocal space. ,Programming language used: FORTRAN 77 Restrictions on the complexity of the problem Zincblende structure compounds and group IV elements only; High speed storage required: 37 Kwords, plus eigendata file may be modified for other compounds. No. of bits in a word: 36 Typical running time About 40 ms per point. Peripheral used: lineprinter Reference No. of lines in combined program and test deck: 1710 [1] J.S. Reid, Acta Cryst. (1986) to be published.