For questions about the electronic structure/molecular dynamics program 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.
Description from: http://www.castep.org/CASTEP/CASTEP