Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864101e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196313150831e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934520e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563738103985e-06 | PASS |
| Benzene Multipoles [step 0] | 4.385148508495203e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 4.385148508495203e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478523946971e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349265933247960e-09 | PASS |