[molpro-user] Max step length in one optimization step

[H. -J. Werner]

The correct syntax is 

optg,stepmax=0.2

Please refer to the manual section about options for optg.

H.-J. Werner

On Mo, 31 Jul 2006, Takao Kobayashi wrote:

>Dear Molpro users,
>
>I would like to change the maximum step size of one optimization step 
>in Molpro2006. I tried to change the step size by the following input:
>
>stepmax=0.01
>optg
>
>or 
>
>optg
>STEP,0.01,0.2,2
>
>But I could not change it at all. 
>How can I change the step size of one optimization step in Molpro2006?
>
>Thank you in advance.
>
>Takao Kobayashi
>
>************************************************************
>                    Dr. Takao Kobayashi
>                 Mitsubishi Chemical Group
>          Science & Technology Research Center, Inc.
>   1000 Kamoshida-cho, Aoba-ku, Yokohama 227-8502, Japan
>
>           e-mail:  tkoba at rc.m-kagaku.co.jp
>           Tel:     (+81) 45-963-3834
>           Fax:     (+81) 45-963-3835
>************************************************************

-- 
Prof. Hans-Joachim Werner
Institute for Theoretical Chemistry
University of Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart, Germany
Tel.: (0049) 711 / 685 64400
Fax.: (0049) 711 / 685 64442
e-mail: werner at theochem.uni-stuttgart.de