Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744464e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | 2.842170943040401e-14 | PASS |
| Benzene Energy [step 20] | -3.744340809476206e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 2.373409573408480e-05 | PASS |
| Benzene Multipoles [step 0] | 5.966166988836511e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 5.966166988836511e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273215007137e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.789921068306999e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417102694457e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 4.310994686229641e-10 | PASS |