Coulomb coefficients for complex ionic crystals

Published: 1 January 1976| Version 1 | DOI: 10.17632/wsvg5mnb35.1
D.C. Sutherland,
W.G. Ferrier


Title of program: KCOUL1 Catalogue Id: ACWY_v1_0 Nature of problem The program evaluates Coulomb coefficients for complex ionic crystals using the equations given by Venkataraman and Sahni modified to take account of the work of Scheringer. These equations are a generalisation of the ones given by Kellermann. Versions of this program held in the CPC repository in Mendeley Data ACWY_v1_0; KCOUL1; 10.1016/0010-4655(76)90067-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Surface Science, Condensed Matter Physics, Computational Physics