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] | -3.744578235744477e+01 | -3.744578235744385e+01 | 9.000000000000000e-08 | -9.237055564881302e-13 | PASS |
| Benzene Energy [step 20] | -3.744565214494916e+01 | -3.744565206480256e+01 | 9.000000000000000e-08 | -8.014660579647170e-08 | PASS |
| Benzene Multipoles [step 0] | 2.277615555334301e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 2.277615555334301e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094606295401904e-02 | -2.094606295401846e-02 | 1.000000000000000e-12 | -5.759281940243000e-16 | PASS |
| Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-12 | 0.000000000000000e+00 | PASS |
| Tot. Maxwell energy [step 300] | 1.401719509978000e-06 | 1.401719509977955e-06 | 1.000000000000000e-12 | 4.446922973085077e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.345576918057300e-05 | 9.344575717782821e-05 | 5.000000000000000e-07 | 1.001200274479441e-08 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.963503425065630e-07 | -2.963839696133850e-07 | 2.000000000000000e-10 | 3.362710682192800e-11 | PASS |
| Diamagnetic current (x=-0.38, y= 0,z=0) [step 20] | 9.629216431984660e-09 | 9.629216431984570e-09 | 2.000000000000000e-10 | 8.933550615572699e-23 | PASS |
| Total current (x=-0.38, y= 0,z=0) [step 20] | 9.833499753893559e-05 | 9.833499753902589e-05 | 2.000000000000000e-10 | -9.030048844088645e-17 | PASS |