This is the official repository containing the AiiDA plugin and workflows for Yambo.

The documentation for this package can be found on Read the Docs at https://aiida-yambo.readthedocs.io/en/latest

Requirements: AiiDA (version >=1.6.4,<3), and other python packages specified in the setup.json file.

Installation via pip

pip install -e yambo-aiida
reentry scan

You can find tutorials at the documentation webpage (see above). These are both in script-based version (examples/examples_hBN folder) and (jupyter-) notebook-based version (examples/examples_Silicon folder).

The terms of the yambo-aiida license can be found in the LICENSE.txt file.

This work was supported by: the Centre of Excellence "MaX - Materials Design at the Exascale" funded by European Union (H2020-EINFRA-2015-1, Grant No. 676598; H2020-INFRAEDI-2018-1, Grant No. 824143; HORIZON-EUROHPC-JU-2021-COE-1 , Grant No. 101093374); the European Union's Horizon 2020 research and innovation programme (BIG-MAP, Grant No. 957189, also part of the BATTERY 2030+ initiative, Grant No. 957213); NCCR MARVEL, a National Centre of Competence in Research, funded by the Swiss National Science Foundation (Grant No. 205602).