A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

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

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

Atomic structure calculations

rsFEM is a software suite for aspherical atomic calculations based on a hybrid Finite Element (radial) / Multipole Expansion (spherical) discretization.