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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 .

Python-based command line tool with Fortran routines for global optimization of atomistic arrangement problems by Couolmb energy.

Docker Images for building GR on various platforms.

PGI-13 Website Theme

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

Docker Images for building GR on various platforms.