SEDC_N_OBS (.param)
Keyword type
Real
Description
This keyword controls the n value for the damping function in the Ortmann-Bechstedt-Schmidt (OBS) dispersion correction scheme.
This parameter is used only if SEDC_APPLY : TRUE and SEDC_SCHEME : OBS.
Default
The default value for this parameter depends on the value of XC_FUNCTIONAL. Please use the scientific literature for additional guidance.
Example
SEDC_N_OBS : 8.0
See Also:
SEDC_SCHEME
SEDC_APPLY
Dispersion correction for DFT
CASTEP keyword glossary
CASTEP parameters keywords