[molpro-user] The orbital information when using WFT_in_DFT

[鲁俊波]

Dear all molpro experts:

   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!

   With my best regard,

   Junbo,

  


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