aiida-abinit

This is an AiiDA plugin for ABINIT.

Installation

To install from PyPI, simply execute:

pip install aiida-abinit

To install from source, execute:

git clone https://github.com/sponce24/aiida-abinit
pip install aiida-abinit

Pseudopotentials

Pseudopotentials are installed and managed through the aiida-pseudo plugin. The easiest way to install pseudopotentials is to install a version of the PseudoDojo through the CLI of aiida-pseudo. To install the default PseudoDojo version, run:

aiida-pseudo install pseudo-dojo

List the installed pseudopotential families with the command aiida-pseudo list.

Acknowledgements

This work was supported by the the European Unions Horizon 2020 Research and Innovation Programme, under the Marie Skłodowska-Curie Grant Agreement SELPH2D No. 839217.

License

MIT

Contact

aiida-abinit is developed and maintained by

• Samuel Poncé - samuel.pon@gmail.com
• Guido Petretto
• Austin Zadoks - austin.zadoks@epfl.ch