GEOM_CONVERGENCE_WIN (.param)

Keyword type

Integer

Description

This keyword determines the size of the convergence window for a geometry optimization. It defines the number of geometry optimization steps over which the energy convergence criteria must be met for convergence to be accepted.

Default

2

Example

GEOM_CONVERGENCE_WIN : 4

See Also:

GEOM_ENERGY_TOL
GEOM_FORCE_TOL
GEOM_DISP_TOL
GEOM_STRESS_TOL
CASTEP keyword glossary
CASTEP parameters keywords