Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744453e+01 | -3.744578235744385e+01 | 5.100000000000000e-08 | -6.821210263296962e-13 | PASS |
| Benzene Energy [step 20] | -3.744565212577485e+01 | -3.744565212577614e+01 | 5.100000000000000e-08 | 1.286082351725781e-12 | PASS |
| Benzene Multipoles [step 0] | -3.557323540162215e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | -3.557323540162215e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094508891117846e-02 | -2.094497332627963e-02 | 9.000000000000000e-07 | -1.155848988326769e-07 | PASS |
| Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 9.999999999999999e-21 | 0.000000000000000e+00 | PASS |
| Tot. Maxwell energy [step 300] | 1.401527202555369e-06 | 1.401527129922635e-06 | 6.000000000000000e-11 | 7.263273408453675e-14 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344667517711520e-05 | 9.344667210574500e-05 | 1.000000000000000e-07 | 3.071370198101664e-12 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.958268626920770e-07 | -2.958269117779080e-07 | 2.000000000000000e-10 | 4.908583092626498e-14 | PASS |
| Benzene Dipole Ex Field from Maxwell [step 13] | 8.132646076402680e-06 | 8.132646076402673e-06 | 1.000000000000000e-10 | 6.776263578034403e-21 | PASS |