Ecosyste.ms: Repos

An open API service providing repository metadata for many open source software ecosystems.

GitHub topics: all-electron

JuDFTteam/aiida-kkr

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

Language: Python - Size: 295 MB - Last synced: 3 days ago - Pushed: 4 days ago - Stars: 14 - Forks: 10

JuDFTteam/aiida-fleur

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

Language: Python - Size: 452 MB - Last synced: 4 days ago - Pushed: 5 days ago - Stars: 13 - Forks: 7

JuDFTteam/JuKKR

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

Language: Fortran - Size: 224 MB - Last synced: 30 days ago - Pushed: 30 days ago - Stars: 6 - Forks: 2

JuDFTteam/FLEUR

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

Language: Fortran - Size: 72.1 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 9 - Forks: 3

QijingZheng/VaspBandUnfolding

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

Language: Python - Size: 34.8 MB - Last synced: 2 months ago - Pushed: 3 months ago - Stars: 174 - Forks: 86

rsfem/rsfem

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

Language: MATLAB - Size: 97.7 KB - Last synced: over 1 year ago - Pushed: over 1 year ago - Stars: 0 - Forks: 0