Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744482e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -1.492139745096210e-13 | PASS |
| Benzene Energy [step 20] | -3.744340809476208e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 2.373409571987395e-05 | PASS |
| Benzene Multipoles [step 0] | 1.674484950681609e-14 | 0.000000000000000e+00 | 1.000000000000000e-10 | 1.674484950681609e-14 | PASS |
| Benzene Multipoles [step 20] | 9.086273215008103e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.789922034201030e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417102695628e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 4.311111710675330e-10 | PASS |