AiidaDFTK

Julia-side implementation of the Aiida plugin of DFTK. For more information how to setup and use DFTK with Aiida, see the documentation of the python side of the plugin.

This package implements a run function, which parses a JSON input to trigger a DFTK-based calculation. Results are again dumped in a JSON/HDF5-compatible form and can be easily parsing in downstream scripts.

At the moment there are no guarantees in the input / output format except that it works in combination with the aiida-dftk plugin. If you wish to use the pipeline implemented by this package in combination with a different downstream driver, please feel free to contact us.