Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744473e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -5.684341886080801e-14 | PASS |
| Benzene Energy [step 20] | -3.744340809476207e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 2.373409572697938e-05 | PASS |
| Benzene Multipoles [step 0] | 8.654939110270343e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 8.654939110270343e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273215007289e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.789921219574886e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417102694739e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 4.311022823444421e-10 | PASS |