Methodological review highlights first-principles electronic structure capabilities in the CASTEP code, suggesting expanded computational modeling of materials.
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.
No takes yet. Share an insight, caveat, or question.
Clark et al. (2005) studied this question.
Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context: