Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864098e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -6.451196313150831e-06 | PASS |
| Benzene Energy [step 20] | -3.744341454491949e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 1.728393830546793e-05 | PASS |
| Benzene Multipoles [step 0] | -4.170285847873211e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | -4.170285847873211e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273319687006e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.894600937246693e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417899976279e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 8.403917686750084e-09 | PASS |