[molpro-user] molpor counts the wrong number of active orbitals and then terminates

[Yang Yang]

Hi, Dear Molpro community,

I'm doing a calculation with CASSCF first and then CASPT2. It includes 10 active orbitals

{casscf
 closed,12,7,7,2,7,2,2,0
 occ,16,7,7,4,7,4,4,0}

and then the same thing for CASPT2, but no matter i tried

{rs2
 closed,12,7,7,2,7,2,2,0
 occ,16,7,7,4,7,4,4,0}

OR simply

rs2

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?

Thanks a lot!

Sincerely

yang  



 		 	   		  
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