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
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Updated
May 3, 2024 - Fortran