Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run intel_mpi_omp_autotools: [intel2022a-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] | -3.744341454491968e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 1.728393812072682e-05 | PASS |
| Benzene Multipoles [step 0] | -7.911717192213887e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | -7.911717192213887e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273319686590e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.894600520913059e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417899976056e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 8.403915459365141e-09 | PASS |