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Publicly Available Published by De Gruyter (O) September 25, 2009

First principles methods using CASTEP

  • Stewart J. Clark , Matthew D. Segall , Chris J. Pickard , Phil J. Hasnip , Matt I. J. Probert , Keith Refson and Mike C. Payne

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.

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Published Online: 2009-9-25
Published in Print: 2005-5-1

© by Oldenbourg Wissenschaftsverlag, München

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