MAGRES_TASK (.param)

Keyword type

String

Description

This keyword defines the type of NMR calculation to be performed.

NMR in CASTEP is part of the separately licensed module NMR CASTEP. NMR calculations can only be performed if you have purchased this module.

Available options for the MAGRES_TASK keyword are:

Default

Shielding

Example

MAGRES_TASK : NMR
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

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