Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744464e+01 | -3.744578235744385e+01 | 3.740000000000000e-12 | -7.958078640513122e-13 | PASS |
| Benzene Energy [step 20] | -3.744565218087135e+01 | -3.744565218087023e+01 | 3.740000000000000e-12 | -1.115552095143357e-12 | PASS |
| Benzene Multipoles [step 0] | 1.546769546122761e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 1.546769546122761e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094351791077943e-02 | -2.094351791077764e-02 | 1.000000000000000e-12 | -1.790234627208065e-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] | 1.401398408996492e-06 | 1.401398408996486e-06 | 1.000000000000000e-12 | 5.717472393966527e-21 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.344663817903910e-05 | 9.344663817885250e-05 | 8.479999999999999e-12 | 1.866047464119114e-16 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.955589798195380e-07 | -2.955589798195430e-07 | 8.479999999999999e-12 | 5.029258124322408e-21 | PASS |