Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run intel_omp_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] | -3.744341454491967e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 1.728393812783224e-05 | PASS |
| Benzene Multipoles [step 0] | -8.151466198038551e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | -8.151466198038551e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273319686751e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.894600681895398e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417899976150e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 8.403916392646371e-09 | PASS |