STEP MAX: Difference between revisions

Latest revision as of 10:24, 20 October 2023

STEP_MAX = [real]
Default: STEP_MAX = 0.1

Description: The flag STEP_MAX defines the trust radius (upper limit) for the optimization step (in $\mathrm {\AA}$ ) in the Improved Dimer Method.

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	[[Category:INCAR tag]][[Category:Transition states]][[Category:Molecules~~]][[Category:Improved dimer method~~]]		[[Category:INCAR tag]][[Category:Transition states]][[Category:Molecules]]