MAGRES_METHOD (.param)

Keyword type

String

Description

This keyword selects the method used by CASTEP for the evaluation of the quantum-mechanical position operator. Available options are:

Default

Crystal

Example

MAGRES_METHOD : molecular
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
Legal Notices