An AiiDA plugin for ABINIT.
Project description
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
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