DIELEC_EMB_BULK_PERMITTIVITY (.param)

Keyword type

Real

Description

This keyword specifies the relative bulk permittivity for implicit solvation model (dimensionless).

Default

78.54 (water) if DIELEC_EMB_FUNC_METHOD is set to FG

1.0 (vacuum) otherwise

Example

DIELEC_EMB_BULK_PERMITTIVITY : 32.63
See Also:

CASTEP keyword glossary
CASTEP parameters keywords