TSSEARCH_QST_MAX_ITER (.param)

Keyword type

Integer

Description

This keyword determines the maximum number of QST iterations performed during an LSTQST transition state search.

This parameter must be greater than 0.

Default

5

Example

TSSEARCH_QST_MAX_ITER : 10
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

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