Description:

aiidaabinit 0.5.0

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

License

For personal and professional use. You cannot resell or redistribute these repositories in their original state.

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