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(Submodule of main) PhD project, public notes.

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

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

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

Release version of containmentFOAM, a pressure based multi-species solver based on OpenFOAM-9. Its model library includes relevant physical and technical models for analysis transport processes inside confined domains like a containment.