Calculation of elastic diffuse leed intensities from disordered adsorbates
Description
Abstract Title of program: DLEED Catalogue number: AALY Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: CRAY-1S; Installation: University of London Computer Centre Operating system: COS (Cray Operating System) Programming language used: FORTRAN 77 High speed storage required: variable, but about 160 Kwords No. of bits per word: 64 No. of lines in the combined program and test deck: 2607 Title of program: DLEED Catalogue Id: AALY_v1_0 Nature of problem To calculate the diffuse intensity distribution produced by low-energy electrons elastically scattered from an adsorbate randomly adsorbed on locally identical sites on an otherwise clean crystal surface, and (optionally) to derive from this a Y-function characteristic of the local bonding geometry of the adsorbate. Versions of this program held in the CPC repository in Mendeley Data AALY_v1_0; DLEED; 10.1016/0010-4655(86)90008-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)