Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
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] | -3.744341454491945e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 1.728393834810049e-05 | PASS |
| Benzene Multipoles [step 0] | 1.366155950474227e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 1.366155950474227e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273319687692e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.894601622809411e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417899976916e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 8.403924053185241e-09 | PASS |