Post-processing toolkit for electronic structure calculations

AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.

Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)

Full-potential Korringa-Kohn-Rostoker Green function code JuKKR: All-electron DFT (repo mirror)

Tools for simplifying daily work with the AiiDA workflow engine

AiiDA data plugin for pandas DataFrame objects

AiiDA plugin for the spirit code