[molpro-user] STATE directive in RS2 and RS3.

Dawid das addiw7 at googlemail.com
Tue Feb 9 10:10:53 CET 2016

Dear Molpro Experts,

I want to do geometry optimization in the first excited state using CASPT3

When I use input like:

{rs3, shift=0.1, root=2, state,1,2

or anything that has STATE directive I get error like:

 Error on RS3 directive

 Unknown parameter STATE for set MRCI:RS3

Even when I use rs2 I get the same error but with RS2 instead of RS3.
In manual it is said that STATE directive is valid for RS2 and RS3!
How is this possible that I get this error?

Best wishes,

Dawid Grabarek
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