II. A computer program for calculation of parameters necessary for the computation of reliable pair distribution functions of non-crystalline materials from limited diffraction data

Published: 1 January 1978| Version 1 | DOI: 10.17632/gt75rmjx27.1
Flemming Yssing Hansen


Title of program: FYPAR Catalogue Id: ACYS_v1_0 Nature of problem The pair distribution function of non-crystalline materials may be obtained by a Fourier transformation of the structure factor as calculated inpart I of this series. The structure factor is often limited in the sense that it shows significant oscillations at the maximal wave vector transfer obtainable. The Fourier transformation of such functions, therefore introduces truncation errors in the transformed function. With this program a parametrization of the small distance part of the pair distri ... Versions of this program held in the CPC repository in Mendeley Data ACYS_v1_0; FYPAR; 10.1016/0010-4655(78)90070-X 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