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

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
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