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] | -3.744565218087144e+01 | -3.744565218087023e+01 | 3.740000000000000e-12 | -1.207922650792170e-12 | PASS |
| Benzene Multipoles [step 0] | -3.557323540162215e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | -3.557323540162215e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094351791078311e-02 | -2.094351791077764e-02 | 1.000000000000000e-12 | -5.471317843230850e-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] | 1.401398408996576e-06 | 1.401398408996486e-06 | 1.000000000000000e-12 | 8.957373417214226e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344663817903661e-05 | 9.344663817885250e-05 | 8.479999999999999e-12 | 1.841110814151947e-16 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.955589798195330e-07 | -2.955589798195430e-07 | 8.479999999999999e-12 | 1.000557668944142e-20 | PASS |