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All-electron FLAPW DFT code FLEUR developed at IAS-1@FZJ.

Single crystal diffraction data reduction - work in progress. Formerly NSXTool.

Single crystal diffraction data reduction - work in progress. Formerly NSXTool.

The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport

(Submodule of main) PhD project, public notes.

Single crystal diffraction data reduction - work in progress. Formerly NSXTool.

Docker Images for building GR on various platforms.

Python-based command line tool with Fortran routines for global optimization of atomistic arrangement problems by Couolmb energy.

Docker Images for building GR on various platforms.