IMPLICIT_SOLVENT_APOLAR_TERM (.param)

Keyword type

Logical

Description

This keyword specifies whether to include apolar terms in the solvation energy calculation. If this keyword is FALSE, there is no use of or requirement for a surface tension value for the solvent.

Default

FALSE

Example

IMPLICIT_SOLVENT_APOLAR_TERM : TRUE
See Also:

CASTEP keyword glossary
CASTEP parameters keywords