DGK Arbeitskreis Theoretische Methoden

Workshop on Diffuse Scattering and Structure Simulation 2023

July 24 –  July 28, 2023

University of Erlangen-Nürnberg


In this workshop you will learn to interpret diffuse scattering and to simulate disordered crystal structures. Defects are quite common in crystals and are responsible for a number of properties like ionic conductivity, electronic properties of indirect semiconductors etc. In diffraction, defects manifest themselves by the presence of diffuse scattering. While its peak intensity usually is weak, the total scattering intensity will be an appreciable fraction of the Bragg intensities. Thus, the description of these structures is largely incomplete without proper interpretation of the diffuse scattering.
The workshop covers the techniques to simulate and to refine disordered structures for a wide range of defects, and the corresponding calculation of the diffraction pattern for single crystals and powder, as well as the calculation of the pair distribution function PDF.

To apply please send an email to Reinhard Neder.

We are looking forward to seeing you in Erlangen.
Reinhard Neder and Thomas Proffen


Check out the DISCUS cook book  published by Oxford University Press.

The workshop will be based on the examples found in the book.


DISCUS paper

Th. Proffen and R.B. Neder,
DISCUS, a program for diffuse scattering and defect structure simulations
, J. Appl. Crystallogr. 30, 171 (1997).

DISCUS Homepage

For more information about DISCUS, visit the DISCUS Homepage