Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744475e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -7.815970093361102e-14 | PASS |
| Benzene Energy [step 20] | -3.744340809476205e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 2.373409574829566e-05 | PASS |
| Benzene Multipoles [step 0] | 1.713212767803238e-14 | 0.000000000000000e+00 | 1.000000000000000e-10 | 1.713212767803238e-14 | PASS |
| Benzene Multipoles [step 20] | 9.086273215008141e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.789922071671057e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417102695705e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 4.311119412847564e-10 | PASS |