AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.
workflow
band-structure
density-functional-theory
defects
magnetism
aiida
ab-initio
high-throughput
greens-functions
electronic-structure
superconductivity
all-electron
forschungszentrum-juelich
kkr
multiple-scattering
condensed-matter-physics
full-potential
computational-materials-science
judft
coherent-potential-approximation
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Updated
Jul 18, 2024 - Python