First principles methods using CASTEP

Other free copies

• White Rose University Consortium (eprints.whiterose.ac.uk)Preprint · PDF
• Durham University (durham-repository.worktribe.com)Preprint · Web page

Abstract

The CASTEP code for first principles electronic structure calculations will be described. A brief, non-technical overview will be given and some of the features and capabilities highlighted. Some features which are unique to CASTEP will be described and near-future development plans outlined.