Updated 6 months ago
aiida-kkr
AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.
ab-initio
aiida
all-electron
band-structure
coherent-potential-approximation
computational-materials-science
condensed-matter-physics
defects
density-functional-theory
electronic-structure
forschungszentrum-juelich
full-potential
greens-functions
high-throughput
judft
kkr
magnetism
multiple-scattering
superconductivity
workflow
Updated 6 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