Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578235744483e+01 | -3.744578235744385e+01 | 9.000000000000000e-08 | -9.805489753489383e-13 | PASS |
| Benzene Energy [step 20] | -3.744565214494932e+01 | -3.744565206480256e+01 | 9.000000000000000e-08 | -8.014676211587357e-08 | PASS |
| Benzene Multipoles [step 0] | 5.397419391059593e-15 | 0.000000000000000e+00 | 2.540000000000000e-14 | 5.397419391059593e-15 | PASS |
| Benzene Multipoles [step 20] | -2.094606295401655e-02 | -2.094606295401846e-02 | 1.000000000000000e-12 | 1.911665270526441e-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] | 1.401719509978052e-06 | 1.401719509977955e-06 | 1.000000000000000e-12 | 9.677351422380381e-20 | PASS |
| Ex (x= 0.76,y= 0,z=0) [step 400] | 9.345576918067960e-05 | 9.344575717782821e-05 | 5.000000000000000e-07 | 1.001200285139859e-08 | PASS |
| By (x= 0,y= 0,z=3.02) [step 400] | -2.963503425065700e-07 | -2.963839696133850e-07 | 2.000000000000000e-10 | 3.362710681493998e-11 | PASS |
| Diamagnetic current (x=-0.38, y= 0,z=0) [step 20] | 9.629216431984840e-09 | 9.629216431984570e-09 | 2.000000000000000e-10 | 2.696608796922870e-22 | PASS |
| Total current (x=-0.38, y= 0,z=0) [step 20] | 9.833499753898060e-05 | 9.833499753902589e-05 | 2.000000000000000e-10 | -4.529254575558195e-17 | PASS |