Which active space to use for DMRG calculations: –> input with SCF rotations (INPUT); –> natural orbitals (NO); –> localized and ordered orbitals (LOC)
- Type: string
- Possible Values: INPUT, NO, LOC
- Default: INPUT
Which active space to use for DMRG calculations: –> input with SCF rotations (INPUT); –> natural orbitals (NO); –> localized and ordered orbitals (LOC)
- Type: string
- Possible Values: INPUT, NO, LOC
- Default: INPUT