SEDC_APPLY (.param)

Keyword type

Logical

Description

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

TRUE specifies a correction from the SEDC_SCHEME keyword will be applied and the energies and derivatives (forces and stresses) reported in the output file seed.castep will be corrected accordingly.

Default

FALSE

Example

SEDC_APPLY : TRUE
See Also:

SEDC_SCHEME
CASTEP keyword glossary
CASTEP parameters keywords

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