
NAT_ORBS_WRITE_ROOTΒΆ
Sets the root number for which CI natural orbitals are written to PSIF_CHKPT. The default value is 1 (lowest root).
- Type: integer
- Default: 1
Sets the root number for which CI natural orbitals are written to PSIF_CHKPT. The default value is 1 (lowest root).
- Type: integer
- Default: 1