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CASTEP: About CASTEP

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.

The current version of CASTEP is version 18.1 - see Getting CASTEP for information on how to obtain this version.

The code is developed by the Castep Developers Group (CDG) who are all UK based academics. Current CDG members are:

Over the years many other people have contributed code to CASTEP including:

Many of the original library pseudopotential files and on-the-fly pseudopotential definitions were contributed by Ming-Hsien Lee.

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Page last modified on December 10, 2017, at 01:37 PM