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] | -3.744578235744463e+01 | -3.744578235744385e+01 | 9.000000000000000e-08 | -7.815970093361102e-13 | PASS |
| Benzene Energy [step 20] | -3.744565214494916e+01 | -3.744565206480256e+01 | 9.000000000000000e-08 | -8.014660579647170e-08 | PASS |
| Benzene Multipoles [step 0] | 5.966166988836511e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 5.966166988836511e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094606295401544e-02 | -2.094606295401846e-02 | 1.000000000000000e-12 | 3.014949401247691e-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] | 1.401719509978014e-06 | 1.401719509977955e-06 | 1.000000000000000e-12 | 5.908054807098745e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.345576918074529e-05 | 9.344575717782821e-05 | 5.000000000000000e-07 | 1.001200291708769e-08 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.963503425065680e-07 | -2.963839696133850e-07 | 2.000000000000000e-10 | 3.362710681695169e-11 | PASS |
| Diamagnetic current (x=-0.38, y= 0,z=0) [step 20] | 9.629216431985490e-09 | 9.629216431984570e-09 | 2.000000000000000e-10 | 9.198248411589668e-22 | PASS |
| Total current (x=-0.38, y= 0,z=0) [step 20] | 9.833499753902560e-05 | 9.833499753902589e-05 | 2.000000000000000e-10 | -2.981555974335137e-19 | PASS |