Main ONETEP documentation

All ONETEP users, regardless of experience, will find it useful to refer to the most recent version of the main ONETEP documentation.

Starting with ONETEP

Absolute beginners should start with Starting with ONETEP.

For general help on standard total energy and force calculations, see the tutorials and the list of input variables.

If you are compiling and running ONETEP in a parallel processing environment, see the advice on environment variables and other settings to consider when launching ONETEP.