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.