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The main feature of the Pkkprime code is the calculation of scattering properties off defects which are embedded in a host, and derived transport properties. It features:
  • precise calculation of Fermi surfaces
  • solving the linearized Boltzmann equation for the mean-free path
  • computation of response tensors, such as conductivities, spin-orbit torkances, spin-accumulation and spin-fluxes due to impurity scattering
  • computation of the skew-scattering contribution to the spin Hall effect and anomalous Hall effect
It takes input from KKRimp and KKRhost, but is otherwise a stand-alone program. It is efficiently parallelized with MPI and OpenMP.
For details, see the
as well as the PhD theses of Bernd Zimmermann and Guillaume Geranton:  

Code download, documentation and wiki

The JuKKR source code is published under the MIT open source licence. It’s wiki page and source code documentation can be found on You will need to sign in to see all the contents which is possible using a github account.