Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744486e+01 | -3.744578235744385e+01 | 9.000000000000000e-08 | -1.008970684779342e-12 | PASS |
| Benzene Energy [step 20] | -3.744565214494909e+01 | -3.744565206480256e+01 | 9.000000000000000e-08 | -8.014652763677077e-08 | PASS |
| Benzene Multipoles [step 0] | 4.211805497577813e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 4.211805497577813e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094606295401493e-02 | -2.094606295401846e-02 | 1.000000000000000e-12 | 3.524958103184872e-15 | PASS |
| Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-12 | 0.000000000000000e+00 | PASS |
| Tot. Maxwell energy [step 300] | 1.401719509977942e-06 | 1.401719509977955e-06 | 1.000000000000000e-12 | -1.291725244562808e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.345576918085350e-05 | 9.344575717782821e-05 | 5.000000000000000e-07 | 1.001200302529106e-08 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.963503425065670e-07 | -2.963839696133850e-07 | 2.000000000000000e-10 | 3.362710681795754e-11 | PASS |
| Diamagnetic current (x=-0.38, y= 0,z=0) [step 20] | 9.629216431984509e-09 | 9.629216431984570e-09 | 2.000000000000000e-10 | -6.121136532892405e-23 | PASS |
| Total current (x=-0.38, y= 0,z=0) [step 20] | 9.833499753901700e-05 | 9.833499753902589e-05 | 2.000000000000000e-10 | -8.890457814381136e-18 | PASS |