Getting started

Prerequisite

AiiDA

We assume that you have a working installation of AiiDA. As we require pymatgen for part of symmetry analysis, you need to install AiiDA by:

pip install aiida-core .[atomic_tools]

Supercell

Supercell program needs to be downloaded or compiled. Then, you need to setup the code in AiiDA. You may consult AiiDA documentation for further information.

aiida-supercell Installation

Currently, you may install the plugin by:

git clone https://github.com/pzarabadip/aiida-supercell .
pip install .

Note It will be deployed to pypi for easier installation.