V2RDM_CASSCF

Input File

Description

v2rdm_casscf/v2rdm3

H3 / cc-pvdz / D+D3 vs full CI, scf_type = PK

v2rdm_casscf/v2rdm2

cc-pvdz N2 (6,6) active space Test DQG

v2rdm_casscf/v2rdm4

v2rdm_casscf 1,4-phenylenedinitrene/(10,10)/cc-pVDZ

v2rdm_casscf/v2rdm5

cc-pvdz N2 (6,6) active space Test DQG

v2rdm_casscf/v2rdm7

STO-3g benzene (6,6) guess orbital rotation test DQG

v2rdm_casscf/v2rdm1

cc-pvdz N2 (6,6) active space Test DQG

v2rdm_casscf/v2rdm6

cc-pvdz N2 (6,6) active space Test DQG