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

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

Development backyard for project atomlflow on GitHub. Mainly notes.

Learning notes on coding, programming, software engineering, RSE.

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

Counting statistics and fractionalization (notes)

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

PhD project notes.

(Submodule of main) PhD project, public notes.

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 .

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

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