/aiida-crystal-dft

AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University

Primary LanguagePythonMIT LicenseMIT

aiida-crystal-dft

DOI

This is the AiiDA plugin for running the CRYSTAL code, spin-off from the aiida-crystal17 plugin by Chris Sewell.

Installation

As of now, the development version can be installed:

>> git clone aiida-crystal-dft
>> pip install -e aiida-crystal-dft

Usage

The plugin can be used as any other AiiDA plugin.

License

MIT © Andrey Sobolev and Evgeny Blokhin, Tilde Materials Informatics