This keyword specifies whether to compute Born effective charge tensors as part of a phonon or electric field linear-response calculation.
TRUE means that the calculation of the dielectric permittivity is carried out via a linear response scheme for an applied electric field. The Born effective charges are also evaluated.
This keyword should be set to TRUE if PHONON_CALC_LO_TO_SPLITTING : TRUE or EFIELD_CALC_ION_PERMITTIVITY : TRUE.
CALCULATE_BORN_CHARGES : FALSE
CASTEP keyword glossary
CASTEP parameters keywords