<p>Dear all molpro experts:</p><p> Now I using the molpro15 to do WFT_in_DFT calculations. For a molecule AB, I want to do the CASSCF for A fragment, and DFT for B fragment. Then how can I get the wavefunction and orbitals of A? Can you give me some help, I will be very appreciated!</p><p> With my best regard,</p><p> Junbo,</p><p> </p><br><br><br>