May 1, 2005Open Access

First principles methods using CASTEP

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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.

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Clark et al. (Sun,) studied this question.

synapsesocial.com/papers/69d747b35f9a1dad5348fa90 https://doi.org/https://doi.org/10.1524/zkri.220.5.567.65075

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