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