UKCP - United Kingdom Car-Parrinello Consortium

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Guide to CASTEP 4.2 (19/10/2000)

For earlier versions:
Guide to CASTEP 3.9, Version 1.1 (4/99)

Addendum 1 (26/8/99) A clearer description of how to make the .recpot file

New Hydrogen ultrasoft pseudopotential (26/8/99). A much-improved H USPP from Chris Pickard. Read the file header to find out what was changed and why.
New ultrasoft potentials for the study of silicates (Si,O and Al) are available. A paper describing them (B. Civalleri and N. M. Harrison, New Ultrasoft Pseudopotentials for the Study of Silicates, Mol. Sim. 28 (2002) 213) is also available.
An open-source package consisting of codes for generating ultrasoft pseudopotentials, together with associated documentation and a pseudopotential library is available from http://www.physics.rutgers.edu/~dhv/uspp/