Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864127e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -6.451196597367925e-06 | PASS |
| Benzene Energy [step 20] | -3.744341454491969e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 1.728393810651596e-05 | PASS |
| Benzene Multipoles [step 0] | -1.226866768226279e-14 | 0.000000000000000e+00 | 1.000000000000000e-10 | -1.226866768226279e-14 | PASS |
| Benzene Multipoles [step 20] | 9.086273319686386e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.894600316909578e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417899975519e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 8.403910081722366e-09 | PASS |