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
EffectiveWaves
A package to calculate ensemble averaged waves in heterogeneous materials. The focus is on wave propagation, scattering, and reflection, from particulate and porous materials.