AiiDA plugin for CASTEP


Welcome to the documentation of aiida-castep

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

If you use this plugin and/or AiiDA for your research, please cite the following work:

Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, and Boris Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci 111, 218-230 (2016);;

Indices and tables