Author:
Clark Stewart J.,Segall Matthew D.,Pickard Chris J.,Hasnip Phil J.,Probert Matt I. J.,Refson Keith,Payne Mike C.
Abstract
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.
Subject
Inorganic Chemistry,Condensed Matter Physics,General Materials Science
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