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All-electron FLAPW DFT code FLEUR developed at IAS-1@FZJ.
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The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport
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Python-based command line tool with Fortran routines for global optimization of atomistic arrangement problems by Couolmb energy.
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Single crystal diffraction data reduction - work in progress. Formerly NSXTool.
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Code for generation & analysis of an AiiDA database of double transition metal impurity embeddings into the topological insulator Bi2Te3.
Fork of https://iffgit.fz-juelich.de/mozumder/Master_Thesis_Mozumder .
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