JuKKR - DFT made in Jülich

The Jülich KKR suite contains codes for electronic structure calculations within density functional theory based on Korrings-Kohn-Rostoker (KKR) Green function method.  The KKR method is a highly accurate all-electron method based on a multiple scattering formalism and the most important features of the Jülich KKR codes include the possibility to perform relativistic calculations, predict scattering effects with the PKKprime code, and treat finite-sized clusters of defects via the KKRimp code or extremely large systems with the KKRnano code.