NLXC_RE_EST_K_SCRN or RE_EST_K_SCRN (.param)

Keyword type

Logical

Description

This keyword determines whether or not the estimate of the Thomas-Fermi screening length in the screened exchange formalism is updated as the density changes. NLXC_RE_EST_K_SCRN is the latest form of this keyword, while the obsolete version, RE_EST_K_SCRN, is supported for backward compatibility.

Default

FALSE

Example

NLXC_RE_EST_K_SCRN : TRUE
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

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