Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864101e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196306045404e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934517e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563709682276e-06 | PASS |
| Benzene Multipoles [step 0] | 9.559551550530026e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | 9.559551550530026e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478523894894e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349271140887835e-09 | PASS |