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coherent-potential-approximation

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JuDFTteam /aiida-kkr

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

UpdatedApr 23, 2025
Python

JuDFTteam /JuKKR

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

hpc density-functional-theory defects magnetism ab-initio greens-functions electronic-structure superconductivity cpa all-electron forschungszentrum-juelich quantum-materials kkr multiple-scattering spintronics condensed-matter-physics full-potential computational-materials-science judft coherent-potential-approximation

UpdatedMay 3, 2024
Fortran

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