Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744460e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | 7.105427357601002e-14 | PASS |
| Benzene Energy [step 20] | -3.744340809476205e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 2.373409574829566e-05 | PASS |
| Benzene Multipoles [step 0] | 7.659138334358420e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 7.659138334358420e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273215007276e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.789921207084877e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417102694630e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 4.311011964075462e-10 | PASS |