IFO - A PROGRAM FOR IMAGE-RECONSTRUCTION-TYPE CALCULATION OF ATOMIC DISTRIBUTION-FUNCTIONS FOR DISORDERED MATERIALS

Authors
Citation
V. Petkov et R. Danev, IFO - A PROGRAM FOR IMAGE-RECONSTRUCTION-TYPE CALCULATION OF ATOMIC DISTRIBUTION-FUNCTIONS FOR DISORDERED MATERIALS, Journal of applied crystallography, 31, 1998, pp. 609-619
Citations number
37
Categorie Soggetti
Crystallography
ISSN journal
00218898
Volume
31
Year of publication
1998
Part
4
Pages
609 - 619
Database
ISI
SICI code
0021-8898(1998)31:<609:I-APFI>2.0.ZU;2-F
Abstract
IFO is a newly developed computer program which transforms experimenta l structure factors for disordered materials to atomic distribution fu nctions by employing an image-reconstruction-type technique. The trans formation is carried out through a Monte Carlo search for an atomic di stribution function which is a smooth, i.e. free of termination and ot her spurious ripples, real-space image of a given experimental structu re factor. IFO has been tested on a number of data-sets and its effici ency has been demonstrated. The program is considered to be a useful t ool for controlling and improving the quality of experimental structur e functions for disordered materials.