From SNIC Documentation
CASTEP is an electronic structure calculation code within density functional theory. In general, it is used for obtaining material properties. In particular, it is used for theoretical spectroscopy, including the core region.
No installations reported.
License: Requires license.
CASTEP is not free. A valid license is required for running it. There is a source code license for European Academics covering a research group, see link. It is also available together with Materials Studio from Accelrys.
ExpertsNo experts have currently registered expertise on this specific subject. List of registered field experts:
|Field||AE FTE||General activities|
|Erik Fransson (C3SE)||C3SE||Computational materials science||100100||Various modification and analysis tool development|
|Johan Raber (NSC)||NSC||Computational chemistry||5050|
|Pavlin Mitev (UPPMAX)||UPPMAX||Computational materials science||4545|
|Torben Rasmussen (NSC)||NSC||Computational chemistry||100100||Application expert coordinator (25% FTE).
Installation and support of computational chemistry software.
Snicdocs editing and development.
|Weine Olovsson (NSC)||NSC||Computational materials science||9090||Application support, installation and help|
- Main web page. Official website. Here documentation and lots of more information can be found.