SEDC_SCHEME (.param)

Keyword type

String

Description

This keyword specifies the semi-empirical dispersion correction scheme to be used to account for van der Waals interactions in the system.

Available options for the keyword values are:

A more detailed description of these schemes can be found in the Dispersion correction for DFT topic.

This parameter is only used when SEDC_APPLY : TRUE.

Default

TS

Example

SEDC_SCHEME : TS
See Also:

SEDC_APPLY
Dispersion correction for DFT
CASTEP keyword glossary
CASTEP parameters keywords

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