First principles methods using CASTEP

doi:10.1524/zkri.220.5.567.65075

First principles methods using CASTEP

2009-09-25

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DOI：10.1524/zkri.220.5.567.65075

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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.

First principles methods using CASTEP

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