GEOM_DISP_TOL (.param)

Keyword type

Real

Description

This keyword determines the tolerance for accepting convergence of the ionic displacement during a geometry optimization.

Default

0.001 Å

Example

GEOM_DISP_TOL : 0.002 ang
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

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