Skip to content

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

JuKKR code access

The JuKKR codes are published as open source software under the MIT license.