CASTEP
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.
Contents |
Availability
No installations reported.
License
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.
Experts
No experts have currently registered expertise on this specific subject. List of registered field experts:| Field | AE FTE | General activities | ||
|---|---|---|---|---|
| Johan Raber (NSC) | NSC | Computational chemistry | 5050 | |
| Pavlin Mitev (UPPMAX) | UPPMAX | Computational materials science | 4545 | |
| Rickard Armiento (NSC) | NSC | Computational materials science | 4040 | Maintainer of the scientific software environment at NSC. |
| Torben Rasmussen (NSC) | NSC | Computational chemistry | 100100 | Installation and support of computational chemistry software. |
| Weine Olovsson (NSC) | NSC | Computational materials science | 9090 | Application support, installation and help |
Links
- Main web page. Official website. Here documentation and lots of more information can be found.
