CASTEP Source Code

We are not able to offer the CASTEP source code as a free download from this site. The source code is freely available for registered UK academics under the terms of the UKCP-Accelrys agreement from the CASTEP project at CCPForge. We intend to develop the CCPForge site in the future and provide additional features not available here, such as a bug-track database, etc.

CASTEP Utilities

General CASTEP utilities that are not part of the standard distribution that might be of interest. No guarantee is made for any of these codes! These utilities do not pretend to be the ultimate analysis tools etc - they are offered as a help and as a framework for you to build your own toolset around.

• MDTEP - a package for analysing the output from a CASTEP MD run.

CASTEP Pseudopotentials

These are additional pseudopotentials contributed by CASTEP users that have been generated because of some particular need that the standard database pseudopotentials did not meet. No guarantee is made for any of these potentials! Test and use as appropriate!

• Carbon LDA USP with NLCC - created by Johan Carlsson (2005).
• Carbon PBE USP with NLCC - created by Johan Carlsson (2005).
• Carbon PBE USP with NLCC - created by Johan Carlsson (2006) with tighter core radius.
• Oxygen PBE USP with NLCC - created by Johan Carlsson (2006).

If you have any comments about these pages, you can email Matt Probert as mijp1 at york.ac.uk