Posted by Viktor Bezugly on July 21, 2006 at 11:32:45:
Dear MOLCAS developers,
in the RASSCF module one can ask to generate a particular type of the one-electron orbitals to be written in a formatted ASCII file by the use of the OUTOrbitals option. One can chose AVERage, CANOnical, NATUral or SPIN orbitals. So, my question is: to which of these orbitals correspond the CI coefficients in the output file? Or to non of those?
Thank you in advance.
Viktor Bezugly