BS_RE_EST_K_SCRN (.param)

Keyword type

Logical

Description

This keyword determines whether or not to update the estimate of the Thomas-Fermi screening length in the screened exchange formalism before the start of a band structure calculation.

This keyword is not relevant if RE_EST_K_SCRN : TRUE, since the reevaluation will happen automatically in this case.

Default

FALSE

Example

BS_RE_EST_K_SCRN : TRUE

See Also:

RE_EST_K_SCRN
CASTEP keyword glossary
CASTEP parameters keywords