CASTEP

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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

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