Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864124e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -6.451196568946216e-06 | PASS |
| Benzene Energy [step 20] | -3.744341454491963e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 1.728393816335938e-05 | PASS |
| Benzene Multipoles [step 0] | 6.410158547691139e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 6.410158547691139e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273319688142e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.894602072449736e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417899977490e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 8.403929795119947e-09 | PASS |