Software available for download

Important Disclaimer:

While I try to ensure that the software distributed thorugh this web site is free of bugs and errors, people use this software at their own risk. I cannot accept any responsibility whatsoever for either incorrect results or for any physical, mental or or other damage arising from use of my software.

Many of the improvements to this software arise from feedback from users. Please e-mail your comments and suggestions to me at rangel@vt.edu

If you think you have found a bug in the software, please try to check for obvious problems.....most apparent bugs are due to trivial mistakes such as incorrect data file formats (including blank lines) or inappropriate input parameters. If you really have a problem, please send me full details in an e-mail, together with all of the relevent input and output files. Thankyou!

	POWF: A program to convert powder diffraction datafile formats. Available here

	EOSFIT-5.2: The first integrated version of EosFit to do fitting and other EoS calculations. Works in an MS-DOS box as a command-line interpreter (you have to type in commands). Still under development, so not all of the intended facilities are working yet! EosFit5.2 handles P-V-T and just P-V data and fits Murnaghan, Birch-Murnaghan, natural strain and Vinet equations of state. Download a zip archive that includes the program, the users guide and example datafiles. Then unzip the archive and read the manual which contains further installation instructions. Last update: 08-Feb-2002

	EOSFIT-6.0: The first GUI version of EosFit, which will evolve into a single GUI-driven program allowing fitting of EoS data. Currently a collection of disconnected GUIs to enable me to learn GUI-writing and for you to do some calculations. All of these programs handle Murnaghan, Birch-Murnaghan, natural strain and Vinet equations of state. Currently available: Users guide as a pdf file: download P-V Calculator: Does P-V calculations, provides f, F, and K and K' at pressure. View the GUI. Download the program. P-V-T Calculator: Does P-V-T calculations. Tells you the P when you have V and T (or any other combination of two from three). Ideal for that late-night P-V-T synchrotron beam-line experience! View the GUI. Download the program.
	*Single-crystal Software*
	SINGLE: Diffractometer control software optimised for precise determination of lattice parameters. Available for distribution, but e-mail me for information.

	Win-Integrate v3.3 is a graphics-based program for Windows-NT (and most Win-98) to integrate step-scan data from diffractometers. It allows the user to examine individual reflections, determine optimum profile parameters and to integrate datasets automatically or manually. Download a zip archive that includes the program, the users guide and example datafiles. Then unzip the archive and read the manual which contains further installation instructions. Last update: 30-April-02
	Further data reduction and refinement software is on its way!

Other Sources of Crystallographic Software

http://www.ccp14.ac.uk/	*A vast compilation of crystallographic software by Lachlan Cranswick (Thankyou, Lachlan ) as well a lot of tutorials, discussion lists and other information on how to use it.*
*http://public.lanl.gov/gsas/*	Distribution and documentation site for GSAS, the Generalised Structure Analysis Software for refining both single-crystal and powder diffraction data. Written by Allen C. Larson and Robert Von Dreele.
*EXPGUI*	*A graphical user interface for GSAS written by Brian Toby. Includes some tutorials. I have also written some tutorials which are available here.*

R.J. Angel Main Page Crystallography Laboratory
This page revised by R.J. Angel, April-2002