Command line help

CASTEP has an in-built help option to assist with using particular keywords. Information on using CASTEP can be seen by using:

castep -h

To get more information on a particular input file keyword (e.g. kpoint_mp_grid) use:

castep -h kpoint_mp_grid

If you don't know the keyword you need to use, then you can search on a particular keyword. This returns a list of keywords that you might be interested in, e.g. to look at all keywords which contain a reference to symmetry.

castep -s symmetry

Finally, to list all keywords, use:

castep -h all

To find out which version of CASTEP you have, use:

castep -v