Book/Report

FZJ-2019-00384

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Ic powls : a program for calculation and refinement of commensurate and incommensurate structures using powder diffraction data

Kockelmann, W.FZJ* ; Jansen, E.FZJ* ; Schäfer, W.FZJ* ; Will, G.FZJ*

1995
Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich

Please use a persistent id in citations: http://hdl.handle.net/2128/21210

Report No.: Juel-3024

Abstract: IC-POWLS is a modified version of the Computer program POWLS (POWder Least Squares) for calculation and refinement of crystallographic and magnetic structures from powder diffraction data. POWLS comprises the calculation of structure model intensities for X-ray or neutron powder diffraction. The program uses integrated intensities of individual reflections or groups of overlapping reflections as observed quantities to adjust the model parameters in a non-diagonal weighted least squares procedure. IC-POWLS has been extended for the analysis of neutron diffraction data to be simultaneously analysed for crystallographic andcommensurate or incommensurate magnetic structures. The program is written in Fortran-77 and is designed to run on IBM mainframe computers, on VAX maschines or on IBM compatible personal computers.

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Contributing Institute(s):

1. Publikationen vor 2000 (PRE-2000)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)

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Database coverage:

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