Dear All,
Does anyone know how to print the unoccupied orbitals in a MOLPRO DFT calculation? I briefly checked the manual but could not find a clue.
The "print" key that allows printing orbitals in non-DFT methods has a different meaning in DFT (for grid printing) and the global "gprint, orbitals" can only print the occupied MOs for a DFT calculation.
Thanks.
Jun Li
