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All-electron FLAPW DFT code FLEUR developed at IAS-1@FZJ.
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Single crystal diffraction data reduction - work in progress. Formerly NSXTool.
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Learning notes on coding, programming, software engineering, RSE.
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Development backyard for project atomlflow on GitHub. Mainly notes.
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Code for generation & analysis of an AiiDA database of single impurity embeddings into elemental crystals
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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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The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport
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Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).
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Literature review on machine learning density functional theory (ML-DFT) and related topics
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