CASTEP
Documentation
The following guides are available:
- Geometry Optimisation
- Molecular Dynamics
- A brief introduction to CASTEP MD
- User Guide for Phonons and Related Calculations
- A rough guide to ELNES/EELS calculations using CASTEP
- On-The-Fly Pseudopotential Generation in CASTEP
- Some additional notes on the OTF generation string
- Pseudopotentials
- Implicit solvation model
On-line Documentation and Downloadable User Guide
The complete online CASTEP Documentation and the downloadable CASTEP User Guide (200+ page PDF) from Materials Studio - created by Dassault Systèmes BIOVIA.
Keywords
CASTEP has a built-in keyword help system. To get more information on CASTEP use:
castep -help
Alternatively you can search for help on a particular topic
castep -help search keyword
or list all of the input parameters
castep -help all
Full lists of all input parameters can be found in the Dassault Systèmes BIOVIA documentation