Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864100e+01 | -3.744578235744467e+01 | 1.000000000000000e-04 | -6.451196327361686e-06 | PASS |
| Benzene Energy [step 20] | -3.744341454491948e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | 1.728393831967878e-05 | PASS |
| Benzene Multipoles [step 0] | 4.224260340233679e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 4.224260340233679e-15 | PASS |
| Benzene Multipoles [step 20] | 9.086273319687892e-02 | 9.086271425086069e-02 | 1.000000000000000e-06 | 1.894601822649555e-08 | PASS |
| Maxwell dipole field [step 10] | 1.999417899977120e-02 | 1.999417059584510e-02 | 1.000000000000000e-08 | 8.403926100158943e-09 | PASS |