Domain specific library 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)

Real-space grid Density Functional Theory for large systems