Welcome to the documentation of
CASTEP is a plane-wave pseudopotential density functional theory code. This plugin allow CASTEP calculations to be run using AiiDA.
The plugin is available at http://gitlab.com/bz1/aiida-castep.
If you use this plugin and/or AiiDA for your research, please cite the following work:
- User’s guide
- Getting started
- Your first calculation
- Getting results
- Additional settings