Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864120e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -6.451196533419079e-06 | PASS |
| Benzene Energy [step 20] | -3.744341454491963e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 1.728393817046481e-05 | PASS |
| Benzene Multipoles [step 0] | -5.730001239209451e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | -5.730001239209451e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273319686941e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.894600872021091e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417899976303e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 8.403917929611371e-09 | PASS |