ABSFAC: A program for the calculation of the absorption during scattering in multifaceted crystals and similar samples

Published: 1 June 1998| Version 1 | DOI: 10.17632/3jnz7gh4fm.1
Roger C. Clark, John S. Reid


Abstract ABSFAC is a FORTRAN program that rapidly and efficiently calculates the absorption factor, T, in multifaceted convex crystals and in other materials whose shape can be modeled by a convex polyhedron. The program also calculates derivatives of T with respect to small outward movements of the polyhedron faces and the mean path length for the scattered rays. Although written for X-ray scattering, the programme is relevant to other scattering provided the underlying assumptions are valid. The pro... Title of program: ABSFAC Catalogue Id: ADHT_v1_0 Nature of problem The calculation of the absorption during scattering of X-rays in crystals; the scattering of neutrons and other radiation from polyhedral samples satisfying the basic assumptions. Versions of this program held in the CPC repository in Mendeley Data ADHT_v1_0; ABSFAC; 10.1016/S0010-4655(98)00015-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Crystallography, Computational Physics