Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864103e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196327361686e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934514e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563681260566e-06 | PASS |
| Benzene Multipoles [step 0] | 2.664141858654740e-16 | 0.000000000000000e+00 | 1.000000000000000e-10 | 2.664141858654740e-16 | PASS |
| Benzene Multipoles [step 20] | -9.520478523983933e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349262236985914e-09 | PASS |