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<div dir="ltr">Hi, Dear Molpro community,<br><br>I'm doing a calculation with CASSCF first and then CASPT2. It includes <b>10</b> active orbitals<br><br>{casscf<br> closed,12,7,7,2,7,2,2,0<br> occ,16,7,7,4,7,4,4,0}<br><br>and then the same thing for CASPT2, but no matter i tried<br><br>{rs2<br> closed,12,7,7,2,7,2,2,0<br> occ,16,7,7,4,7,4,4,0}<br><br>OR simply<br><br>rs2<br><br>the program gives a message "TOO MANY ACTIVE ORBITALS: 34 THIS VERSION ALLOWS 32". i cannot see where are the 34 active orbitals from. At least the number of active orbitals should follow the CASSCF calculation if i simply type "rs2" without anything else. The previous CASSCF calculation clearly indicate "Number of active orbitals:10". Any ideas? Is this a bug?<br><br>Thanks a lot!<br><br>Sincerely<br><br>yang <br><br></div>
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