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Keyword category:

Eigenvector Following

RMAX

RMAX — Adjust maximum criterion for accepting geometry steps.

Usage

RMAX=n.n

Description

This is the maximum ratio of actual to predicted energy change for accepting geometry steps at Stage 2.

Abbreviation:

none

Requires:

TS or EF.

Required by:

none

Default value:

4.00

See also:

EF, TS
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