A Rietveld Refinement Program for Real Time Powder Diffraction Patterns XND, Release 1.20

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This is now the reference manual, its files can be loaded also as a postcript compressed archive directly or on the ftp server. The old french xnd_doc.d file may contains some details which have not been updated in this documentation. The input file structure was modified in the 1.20 release to allow an easier description of complex phases like composites, however xnd_1.20 can read some files of the previous release.

A short tutorial has been introduced in this manual, it comments an example file.


The program

Users Files

Usage and related info

Installation and structure of the program


The program XND is devoted to the refinement of crystal structures starting from powder diffraction patterns. The structure refinement is carried out through the Rietveld (1969) method. The aim of the program is to provide an easy approach to the treatment of multiple diffraction patterns arising from a large number of physical and chemical problems as the study of phase transition and in the real time monitoring of reactions.

The source of the program is written in ANSI C language and great care has been taken to allow an easy implementation on different computer platforms. The present version can run on most of Unix stations (HP-Ux, Linux, IBM-Aix, Sun, ...) and on PC compatibles (80386 or higher) with MS-Windows95; previous releases were also run on Powermac and on Vax but compilation was not recently attempt on these hosts, care was not taken in the last release to ensure success with KK compiler as gcc is widely available.

The main features of this version are:



Numerous people have been concerned by previous releases and have participated to the debugging. Friends of my previous laboratory (CPS-ECP, Chatenay, France) have to be thank for their help in finding lots of things ... and for their suggestions ...
The incommensurate modulation were introduced for them; D. Grebille (CRISMAT, Caen, France) and G. Baldinnozzi (CPS-ECP) have corrected the calculation of the satelites. GB is also responsable for improvments in the documentation being at the origin of this document.


The program files can be obtained using ftp anonymous on ftp.polycnrs-gre.fr or labs.polycnrs-gre.fr, they are located in the pub/xnd directory. It contains the current sources in the classical .tar.gz archive and some binaries, as in this example.

However, on January 15th 2000, the CNRS ftp server is going to be changed and the xnd source can be obtained using anonymous-ftp from old-labs.polycnrs-gre.fr.

CCP14 mirror

At the time, the program files and the documentation are mirrored by CCP14. There are also Canadian and USA XND mirrors from the CCP14.

Some tutorial is also in construction on this site. Thanks to Lachlan Cranswick for this works.


J.-François Bérar

Laboratoire de Cristallographie - CNRS,
BP 166, 38042 Grenoble CEDEX 09, France
e-mail: berar@polycnrs-gre.fr

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JFB, October 22, 2001