Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744495e+01 | -3.744578235744385e+01 | 3.740000000000000e-12 | -1.108446667785756e-12 | PASS |
| Benzene Energy [step 20] | -3.744565216215797e+01 | -3.744565216215793e+01 | 3.740000000000000e-12 | -3.552713678800501e-14 | PASS |
| Benzene Multipoles [step 0] | -6.832846666002902e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | -6.832846666002902e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094497166582035e-02 | -2.094497166579790e-02 | 1.000000000000000e-12 | -2.245426067304379e-14 | PASS |
| Dipolar field [step 20] | 1.022778092351540e-07 | 1.022778092351507e-07 | 1.000000000000000e-12 | 3.295487560411262e-21 | PASS |
| Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-12 | 0.000000000000000e+00 | PASS |
| Tot. Maxwell energy [step 300] | 1.401550522265245e-06 | 1.401550522265254e-06 | 1.000000000000000e-12 | -9.105604182983729e-21 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344493696230860e-05 | 9.344493696214700e-05 | 8.479999999999999e-12 | 1.616003338089644e-16 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.958134462431480e-07 | -2.958134462431620e-07 | 8.479999999999999e-12 | 1.397604362969596e-20 | PASS |