JuDFTteam/JuKKR

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

FortranTeXForthPythonCMakefileOtherhpcdensity-functional-theorydefectsmagnetismab-initiogreens-functionselectronic-structuresuperconductivitycpaall-electronforschungszentrum-juelichquantum-materialskkrmultiple-scatteringspintronicscondensed-matter-physicsfull-potentialcomputational-materials-sciencejudftcoherent-potential-approximation
This is stars and forks stats for /JuDFTteam/JuKKR repository. As of 25 Apr, 2024 this repository has 5 stars and 2 forks.

The Jülich KKR codes Description The Korringa-Kohn-Rostoker (KKR) Greens function method is a highly accurate all-electron method to perform density functional theory calculations. The most important features of the Jülich KKR codes include the possibility to perform relativistic calculations, predict scattering effects, and treat finite-sized clusters or very large systems. Installation Dependencies a Fortran compiler (tested with gfortran and ifort but ifort is recommended) cmake an installation...
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