SEDC_SR_JCHS (.param)
Keyword type
Real
Description
This keyword controls the sR value for the damping function in the JCHS dispersion correction scheme.
This parameter is used only if SEDC_APPLY : TRUE and SEDC_SCHEME : JCHS.
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_JCHS : 1.0
See Also:
SEDC_SCHEME
SEDC_APPLY
Dispersion correction for DFT
CASTEP keyword glossary
CASTEP parameters keywords