Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744453e+01 | -3.744578235744385e+01 | 3.740000000000000e-12 | -6.821210263296962e-13 | PASS |
| Benzene Energy [step 20] | -3.744565216215797e+01 | -3.744565216215793e+01 | 3.740000000000000e-12 | -3.552713678800501e-14 | PASS |
| Benzene Multipoles [step 0] | -3.557323540162215e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | -3.557323540162215e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094497166581735e-02 | -2.094497166579790e-02 | 1.000000000000000e-12 | -1.944971961265196e-14 | PASS |
| Dipolar field [step 20] | 1.022778092351525e-07 | 1.022778092351507e-07 | 1.000000000000000e-12 | 1.799945012915388e-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] | 1.401550522265282e-06 | 1.401550522265254e-06 | 1.000000000000000e-12 | 2.731681254895119e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344493696217431e-05 | 9.344493696214700e-05 | 8.479999999999999e-12 | 2.730834221947864e-17 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.958134462431520e-07 | -2.958134462431620e-07 | 8.479999999999999e-12 | 1.000557668944142e-20 | PASS |