research
oaioai:eprints.whiterose.ac.uk:8521

First principles methods using CASTEP

Authors
Publication date
1 January 2005
Publisher
Doi

    Abstract

    The CASTEP code for first principles electronic structure calculations will be described. A brief, nontechnical 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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      This paper was published in White Rose Research Online.

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