The JuKKR code package
-
Korringa-Kohn-Rostoker DFT codes made in Jülich
Features
KKRhost
The KKRhost code for electronic structure calculations of periodic systems.
KKRimp
The KKRimp code for impurity embedding into crystalline hosts.
PKKprime
The PKKprime code for Fermi surface, scattering and Boltzmann transport properties.
KKRsusc
The KKRsusc code for time-dependent density functional theory.
KKRnano
The linear scaling KKRnano code for extremely large systems.
voronoi
Voronoi construction of atom-centered cells and creation of stating potentials.
AiiDA-KKR
Automation of KKR calculations for high-throughput via the AiiDA-KKR plugin
Spirit
Atomistic spin dynamics