EFIELD_CALC_ION_PERMITTIVITY (.param)

Keyword type

Logical

Description

This keyword controls whether to compute the zero-frequency dielectric permittivity based on the ionic response to electric fields.

This requires a gamma point phonon calculation in addition to the linear response electric field calculation.

Default

TRUE

Example

EFIELD_CALC_ION_PERMITTIVITY : FALSE
See Also:

CASTEP keyword glossary
CASTEP parameters keywords