Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744471e+01 | -3.744578235744385e+01 | 3.740000000000000e-12 | -8.597567102697212e-13 | PASS |
| Benzene Energy [step 20] | -3.744565218087146e+01 | -3.744565218087023e+01 | 3.740000000000000e-12 | -1.229238932864973e-12 | PASS |
| Benzene Multipoles [step 0] | 4.026706130314403e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 4.026706130314403e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094351791077553e-02 | -2.094351791077764e-02 | 1.000000000000000e-12 | 2.105954299835844e-15 | PASS |
| Tot. Maxwell energy [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-12 | 0.000000000000000e+00 | PASS |
| Tot. Maxwell energy [step 300] | 1.401398408996493e-06 | 1.401398408996486e-06 | 1.000000000000000e-12 | 6.564505341220828e-21 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344663817882269e-05 | 9.344663817885250e-05 | 8.479999999999999e-12 | -2.980200721619530e-17 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.955589798195340e-07 | -2.955589798195430e-07 | 8.479999999999999e-12 | 8.999725064576941e-21 | PASS |