Explore projects
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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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The Jülich KKR codes containing: voronoi construction, bulk crystals and interfaces, impurities, magnetic susceptibilities, Fermi surface, impurity scattering, Boltzmann transport
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Literature review on ML-enabled DFT for AI meeting
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Electron transport calculation code based on the real-space finite-difference formalism within the framework of the density functional theory
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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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