AiiDA plugin for the Jülich KKRcode

_images/juKKR_logo_square_new.jpg _images/AiiDA_transparent_logo.png

Welcome to documentation of the AiiDA plugin for the Jülich KKRcode!

The plugin is available at https://github.com/JuDFTteam/aiida-kkr

If you use this plugin for your research, please cite the following work:

Author Name1, Author Name2, Paper title, Jornal Name XXX, YYYY (Year).

iAlso please cite the original AiiDA paper:

Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, and Boris Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci 111, 218-230 (2016); http://dx.doi.org/10.1016/j.commatsci.2015.09.013; http://www.aiida.net.

Requirements

Once all requirements are installed you need to set up the computers and codes before you can submit KKR calcutions using the aiida-kkr plugin.

Indices and tables