Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744464e+01 | -3.744578235744385e+01 | 3.740000000000000e-12 | -7.958078640513122e-13 | PASS |
| Benzene Energy [step 20] | -3.744565216215771e+01 | -3.744565216215793e+01 | 3.740000000000000e-12 | 2.202682480856311e-13 | PASS |
| Benzene Multipoles [step 0] | 1.546769546122761e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 1.546769546122761e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094497166581226e-02 | -2.094497166579790e-02 | 1.000000000000000e-12 | -1.436004093413601e-14 | PASS |
| Dipolar field [step 20] | 1.022778092351503e-07 | 1.022778092351507e-07 | 1.000000000000000e-12 | -4.102815838263017e-22 | PASS |
| Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-12 | 0.000000000000000e+00 | PASS |
| Tot. Maxwell energy [step 300] | 1.401550522265220e-06 | 1.401550522265254e-06 | 1.000000000000000e-12 | -3.409307612698559e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344493696221540e-05 | 9.344493696214700e-05 | 8.479999999999999e-12 | 6.839960455667926e-17 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.958134462431530e-07 | -2.958134462431620e-07 | 8.479999999999999e-12 | 8.999725064576941e-21 | PASS |