/aiidalab-qe-eos

A aiidalab-qe plugin to calculate the equation of state of a crystal.

Primary LanguagePythonMIT LicenseMIT

AiiDAlab_QE EOS

A demonstration of creating a plugin to do the Equation of State (EOS) calculation inside AiiDAlab-QE.

Installation

Git clone this repository, and cd into the directory. Then, install this plugin by:

pip install -e .

License

MIT