V2RDM_CASSCF¶
| Input File | Description |
|---|---|
| v2rdm_casscf/v2rdm3 | H3 / cc-pvdz / D+D3 vs full CI, scf_type = PK |
| v2rdm_casscf/v2rdm4 | v2rdm_casscf 1,4-phenylenedinitrene/(10,10)/cc-pVDZ |
| v2rdm_casscf/v2rdm6 | cc-pvdz N2 (6,6) active space Test DQG |
| v2rdm_casscf/v2rdm2 | cc-pvdz N2 (6,6) active space Test DQG |
| v2rdm_casscf/v2rdm1 | cc-pvdz N2 (6,6) active space Test DQG |
| v2rdm_casscf/v2rdm7 | STO-3g benzene (6,6) guess orbital rotation test DQG |
| v2rdm_casscf/v2rdm5 | cc-pvdz N2 (6,6) active space Test DQG |
