[molpro-user] Perform CASSCF with CAS(19/15)

G Mahesh gmahesh at students.iiserpune.ac.in
Wed Nov 13 20:05:19 GMT 2013

Dear Users,

I need some small information about performing CASSCF calculation. Is it
possible to do CASSCF calculation with CAS space 19 active electrons in 15
active orbitals (referred as CAS(19/15))for a system of 5 atoms having
total 39 electrons using MOLPRO?

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