CASTEP

Author
Matthew Segall
Matt Probert
Stewart Clark
Phil Hasnip
Keith Refson
Jonathan Yates
Mike Payne
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Abstract
CASTEP is a full-featured materials modelling code based on a first-principles quantum mechanical description of electrons and nuclei. It uses the robust methods of a plane-wave basis set and pseudopotentials.
This item URI
http://hdl.handle.net/11256/455
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