[molpro-user] Is Minimum Energy Path (MEP) optimization with SLAPAF working in Molpro

Evgeniy Gromov Evgeniy.Gromov at pci.uni-heidelberg.de
Wed Nov 18 14:08:24 GMT 2009

Dear Developers and Users of Molpro,

I am wondering if someone knows whether the Minimum
Energy Path (MEP) optimization can be performed
using the SLAPAF module. The instructions in the manual
look like:


I will very appreciate if someone could explain what opt1,opt2,
par1,par2 stand for. In particular how one can set up to do
the MEP optimization. Many thanks!

Best regards,

Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg

Telefon: +49/(0)6221/545263
Fax: +49/(0)6221/545221
E-mail: evgeniy at pci.uni-heidelberg.de

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