Skip to content
Code containing the AiiDA-KKR plugins and some workflows for the juDFT KKR codes.
Python Other
  1. Python 98.7%
  2. Other 1.3%
Branch: master
Clone or download

Documentation Status Build Status codecov MIT license GitHub version PyPI version


AiiDA plugin for the Jülich KKR codes plus workflows and utility.


  • KKR calculations for bulk and interfaces
  • treatment of alloys using VCA or CPA
  • self-consistency, DOS and bandstructure calculations
  • extraction of magnetic exchange coupling parameters (J_ij, D_ij)
  • impurity embedding solving the Dyson equation
  • import old calculations using the calculation importer (only working with aiida-core<1.0, i.e. in aiida-kkr v0.1.2)


$ pip install aiida-kkr  # install latest version of aiida-kkr (published on
$ reentry scan -r aiida  # update entry points, needed in order to find kkr.* entrypoints in aiida

# setupt aiida if this was not done already:
$ verdi quicksetup  # better to set up a new profile
$ verdi calculation plugins  # should now show kkr.* entrypoints

for developer version download the repository and install the downloaded version

$ git clone
$ pip install -e aiida-kkr
$ reentry scan -r aiida

Usage and Documentation

Contribting guide

  • Under construction
  • ...
You can’t perform that action at this time.