Fourier analysis of EXAFS data — A self-contained FORTRAN program-package — A second version

Published: 1 January 1988| Version 1 | DOI: 10.17632/23jh7vtstc.1
N. Aldea, E. Indrea


Abstract A new version of Fourier analysis of EXAFS data, a self-contained FORTRAN program-package, is described. The EXAFS spectra analyses has been processed by hybrid Fourier transform and curve-fitting procedure. The purpose of the program package is, based on EXAFS measurements, to obtain the structural parameters: R_j- distance from the central absorbing atom to atoms in the jth coordination shell, N_j- number of atoms in the jth shell, σ_j- root mean square deviation of t he interatomic d... Title of program: EXAFS 11,21,31,41,51,61 Catalogue Id: ACUF_v2_0 [ABDF] Nature of problem The present paper is a new version of the program package by Indrea and Aldea. The array of the structural parameters has been revised in order to assure more complete structural informations. Some convenient new options have been provided to complete the user's possibilities. In addition we corrected an error in the window function and we added the possibility to process any shell coordination. Versions of this program held in the CPC repository in Mendeley Data ACUF_v1_0; EXAFS 1,2,3,4,5; 10.1016/0010-4655(80)90078-8 ACUF_v2_0; EXAFS 11,21,31,41,51,61; 10.1016/0010-4655(88)90158-0 ACUF_v3_0; EXAFS (13,23,33,43,53,63); 10.1016/0010-4655(90)90083-D 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