Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss-serial-full: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864103e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -6.451196355783395e-06 | PASS |
| Benzene Energy [step 20] | -3.744341454491952e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 1.728393827704622e-05 | PASS |
| Benzene Multipoles [step 0] | 9.686566873569099e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 9.686566873569099e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273319688484e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.894602415231095e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417899977686e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 8.403931758826921e-09 | PASS |