Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744473e+01 | -3.744578235744385e+01 | 3.740000000000000e-12 | -8.810729923425242e-13 | PASS |
| Benzene Energy [step 20] | -3.744565216215780e+01 | -3.744565216215793e+01 | 3.740000000000000e-12 | 1.350031197944190e-13 | PASS |
| Benzene Multipoles [step 0] | 8.654939110270343e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 8.654939110270343e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094497166580343e-02 | -2.094497166579790e-02 | 1.000000000000000e-12 | -5.526828994462107e-15 | PASS |
| Dipolar field [step 20] | 1.022778092351500e-07 | 1.022778092351507e-07 | 1.000000000000000e-12 | -7.411538288475128e-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] | 1.401550522265272e-06 | 1.401550522265254e-06 | 1.000000000000000e-12 | 1.757593365552673e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344493696180959e-05 | 9.344493696214700e-05 | 8.479999999999999e-12 | -3.374037160774890e-16 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.958134462431530e-07 | -2.958134462431620e-07 | 8.479999999999999e-12 | 8.999725064576941e-21 | PASS |