DIPOLE_DIR (.param)
Keyword type
String
Description
This keyword specifies the direction in which to apply a dipole slab correction. Available options are:
- X - dipole correction applied in the periodic x-direction.
- Y - dipole correction applied in the periodic y-direction.
- Z - dipole correction applied in the periodic z-direction.
- A - dipole correction applied non-selfconsistently to the total energy only.
It is recommended that a minimum of 8 Å vacuum is used throughout.
Default
This parameter is not set by default.
Example
DIPOLE_DIR : Z
See Also:
DIPOLE_CORRECTION keyword
CASTEP keyword glossary
CASTEP parameters keywords