Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744492e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -2.486899575160351e-13 | PASS |
| Benzene Energy [step 20] | -3.744340809476223e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 2.373409556355455e-05 | PASS |
| Benzene Multipoles [step 0] | -1.438494034947979e-14 | 0.000000000000000e+00 | 1.000000000000000e-10 | -1.438494034947979e-14 | PASS |
| Benzene Multipoles [step 20] | 9.086273215004972e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.789918903372101e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417102692346e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 4.310783570382615e-10 | PASS |