[molpro-user] Does the option "mep-" for slapaf work?

Evgeniy Gromov Evgeniy.Gromov at pci.uni-heidelberg.de
Wed Dec 16 15:57:56 GMT 2009


Dear Developers of Molpro,

I have just a simple question, if geometry optimization
with slapaf runs with the option "mep-"?
I tried this construction:

{optg;
method,slnr;
{slopt;mep-}}

but it just does normal geometry optimization, not the minimum
energy search scheme. Hence this question...

Thanks!

Best regards,
Evgeniy
-- 
_______________________________________
Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg
Germany

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






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