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The DISCUS package consists of four programs, each of which could be used independently or in combination. The first program in the package is DISCUS itself and the development started some 15 years ago by Reinhard Neder. DISCUS is a general program to generate disordered atomic structures and compute the corresponding experimental data such as single crystal diffuse scattering or the atomic pair distribution function (PDF). Features include symmetry operations, Monte Carlo simulation capabilities and the generation of domain structure to name just a few. More recently DISCUS developments include the simulation of nanoparticles. DISCUS is the engine behind the new Nanoparticle Builder hosted by Los Alamos National Laboratory.

The second program is DIFFEV. This is a generic minimization program using an evolutionary algorithm. It is designed to work with the other programs in the package.

A new addition is the program MIXSCAT. It is a tool to extract differential pair distribution functions by combining x-ray and neutron data. The same differential functions can be calculated from a model using DISCUS.

Finally the package contains a general plotting program called KUPLOT.

Please note that the program PDFFIT has been retired. A completely rewritten version can be found at http://www.diffpy.org.



DISCUS latest release

Mar 17, 2013: Newest version (beta)
Nov 26, 2011 : Stable
Download now.

DISCUS workshop

DISCUS workshop with emphasis on nanoparticle modeling was held from Sep 10-13, 2012 at the University of Erlangen-Nürnberg in Germany. For more information, visit the workshop page. In 2013 we are planning to return to the US.


Book coverCookbook
Many detailed examples can be found in the DISCUS cook book published by Oxford University Press.