Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744460e+01 | -3.744578235744385e+01 | 3.740000000000000e-12 | -7.531752999057062e-13 | PASS |
| Benzene Energy [step 20] | -3.744565216215780e+01 | -3.744565216215793e+01 | 3.740000000000000e-12 | 1.350031197944190e-13 | PASS |
| Benzene Multipoles [step 0] | 7.659138334358420e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 7.659138334358420e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094497166580444e-02 | -2.094497166579790e-02 | 1.000000000000000e-12 | -6.543376951384516e-15 | PASS |
| Dipolar field [step 20] | 1.022778092351520e-07 | 1.022778092351507e-07 | 1.000000000000000e-12 | 1.217609861678057e-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] | 1.401550522265268e-06 | 1.401550522265254e-06 | 1.000000000000000e-12 | 1.334076891925523e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344493696264719e-05 | 9.344493696214700e-05 | 8.479999999999999e-12 | 5.001966722761875e-16 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.958134462431520e-07 | -2.958134462431620e-07 | 8.479999999999999e-12 | 1.000557668944142e-20 | PASS |