Keyword STEPTYPE

With this keyword the geometry optimization step is selected.
Options:
LEVENBERG / RFO / WALK / DESCENT

	LEVENBERG		Levenberg-Marquardt.
	RFO		Rational function optimization.
	WALK		Potential energy surface walking.
	DESCENT		Steepest descent.

Description:
By default deMon2k uses Levenberg-Marquardt steps [215,216] with robust root finding [217] in the structure optimization and the transition state search by the uphill trust region method [196,197]. Alternatively, RFO [198] and WALK [218] steps are available for restricted step method minimizations [219]. For the transition state search the (P)-RFO step can be selected as alternative to the default Levenberg-Marquardt step by specifying the RFO option.