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(Submodule of main) PhD project, public notes.

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

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

Code for generation & analysis of an AiiDA database of single impurity embeddings into elemental crystals

Reusable LaTeX resources (figures, lists, tables, equations) for documents (presentations, theses, papers).

Literature review on machine learning density functional theory (ML-DFT) and related topics

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