[molpro-user] constraint cartesian coordinates during geometry optimization

Joonghan Kim quantum99 at gmail.com
Wed Jul 2 07:47:02 BST 2014

Dear users

I would like to perform geometry optimization with fixing cartesian
Actually, I tried to do it,


but error occurs.

 ? Error
 ? Internal coord/Constraint definition is allowed only for SLapaf optimizer
 ? The problem occurs in opt_inp1

Any advice will be welcome.

Thank you in advance.

Joonghan Kim, Ph. D.
Assistant Professor
Department of Chemistry
The Catholic University of Korea
Bucheon, Gyunggi-do 420-743, Korea
(E-mail) joonghankim at catholic.ac.kr, quantum99 at gmail.com
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