SEDC_SR_TS (.param)

Keyword type

Real

Description

This keyword controls the sR value for the damping function in the Tkatchenko-Scheffler (TS) dispersion correction scheme.

This parameter is used only if SEDC_APPLY : TRUE and SEDC_SCHEME : TS.

Default

The default value for this parameter depends on the value of XC_FUNCTIONAL. Please use the scientific literature for additional guidance.

Example

SEDC_SR_TS : 0.94

See Also:

SEDC_SCHEME
SEDC_APPLY
Dispersion correction for DFT
CASTEP keyword glossary
CASTEP parameters keywords