The AiiDA-FLEUR python package enables the use of the all-electron Density Functional Theory (DFT) code FLEUR with the AiiDA framework.
It is open source under the MIT license and available on github . The package is developed mainly at the Forschungszentrum Jülich GmbH, (IAS-1/PGI-1) , Germany. Check out the AiiDA registry to find out more about what other packages for AiiDA exists, that might be helpful for you and checkout JuDFT for further information on other IAS-1 made simulation software.
We acknowledge partial support from the EU Centre of Excellence “MaX – Materials Design at the Exascale” ( http://www.max-centre.eu ). (Horizon 2020 EINFRA-5, Grant No. 676598). We also acknowledge support by the Joint Lab Virtual Materials Design (JLVMD) of the Forschungszentrum Jülich. We thank the AiiDA team for their help and work. Also the vial exchange with developers of AiiDA packages for other codes was inspiring.