- 19.5.1 Defining the starting orbitals
- 19.5.2 Defining the starting CI coefficients
- 19.5.3 Rotating pairs of initial orbitals
- 19.5.4 Saving the final orbitals
- 19.5.5 Saving the CI vectors and information for a gradient calculation
- 19.5.6 Natural orbitals
- 19.5.7 Pseudo-canonical orbitals
- 19.5.8 Localized orbitals
- 19.5.9 Diabatic orbitals

molpro@molpro.net 2019-05-25