Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864113e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -6.451196462364805e-06 | PASS |
| Benzene Energy [step 20] | -3.744341454491964e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 1.728393815625395e-05 | PASS |
| Benzene Multipoles [step 0] | 2.608085468721185e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 2.608085468721185e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273319687696e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.894601626972747e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417899977122e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 8.403926114036731e-09 | PASS |