TSSEARCH_ENERGY_TOL (.param)

Keyword type

Real

Description

This keyword controls the tolerance for accepting convergence of the maximum energy difference when TSSEARCH_METHODNEB.

Default

0.00002 eV/atom

Example

TSSEARCH_ENERGY_TOL : 0.0005
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
Legal Notices