Stuttgart School 2025
Stuttgart School 2025 Resources – John Evans
This page contains links to the resources that John will discuss in his lectures on Rietveld Analysis and Symmetry Mode Refinements.
Lecture notes for Whole Powder Pattern Fitting, and Symmetry Mode Analysis.
Lecture slides for Whole Powder Pattern Fitting and Symmetry Mode Analysis.
A tutorial going through the Y2O3 example from the Rietveld lecture is here.
Links to step-by-step refinements using jEdit or VS Code topas-editor.
How to set up VS Code or jEdit.
Branton Campbell and Harold Stokes ISODISTORT webpage. A parent WO3 Pm-3m parent cif file. A tutorial on the distortion mode refinement from the lecture.
Tutorials to go with the Distortion Mode lecture are here: LaMnO3 structural, WO3 simple, WO3 advanced.
Prof. Scardi’s WPPM tutorial and files are also linked here.
Topas tutorials – a wide variety of tutorials for TOPAS/jEdit that you can try.
Rietveld refinement in excel – a tutorial using excel to explore the fundamentals of least squares fitting, how to fit a Gaussian or Lorentzian peak, how to do a Pawley-like structure independent fit and how to do a Rietveld refinement. The related paper contains more information.
Least squares by hand – it’s worth trying to do a least squares fit by hand once in your life, even if just to appreciate the power of computers. This example goes through a simple linear least squares fit, and shows you how to work out standard uncertainties and correlation coefficients. It also explores constraints and restraints in Rietveld refinement.
Analysis of Y2O3 data in GSAS-2 – the data and an instrument parameter file to try the Y2O3 example in GSAS-2.
There are some videos on using topas on my YouTube channel.
The topas wiki with lots of help, on line topas manual (includes Rietveld equations), links to forum etc is here.
Mark Senn’s distortion mode glossary.
Other tutorials on symmetry/distortion mode refinements are tutorial numbers 36-40.