CALCULATE_STRESS (.param)

Keyword type

Logical

Description

This keyword controls whether or not a stress calculation will be performed.

If CALCULATE_STRESS is set to TRUE, the stress tensor will be calculated, no matter which TASK is selected. If it is set to FALSE, the stress tensor will only be calculated if it is required, for example during a cell geometry optimization with cell relaxation.

Default

FALSE

Example

CALCULATE_STRESS : TRUE
See Also:

TASK
CASTEP keyword glossary
CASTEP parameters keywords

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