Updated 5 months ago
https://github.com/judftteam/aiida-fleur
AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
Updated 6 months ago
fleur
Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)
ab-initio
all-electron
computational-materials-science
computational-physics
condensed-matter-physics
density-functional-theory
dft
electronic-structure
forschungszentrum-juelich
full-potential
hpc
judft
kohn-sham
lapw
magnetism
materials-science
plane-wave
quantum-materials
scientific-computing
spintronics
Updated 6 months ago
spinwannier
Tools for handling Wannier models with a spin operator, calculating the Wannier model quality and spin-texture plotting.