Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351350309405779e+01 | -1.351350309405791e+01 | 3.480000000000000e-13 | 1.172395514004165e-13 | PASS |
| Energy [step 103] | -1.351351009473358e+01 | -1.351351009473370e+01 | 4.500000000000000e-13 | 1.225686219186173e-13 | PASS |
| Multipoles [step 83] | 6.218975443104193e-04 | 6.218975443429170e-04 | 3.000000000000000e-13 | -3.249776749786326e-14 | PASS |
| Multipoles [step 103] | 3.990050594293931e-03 | 3.990050594276555e-03 | 3.000000000000000e-13 | 1.737585769712169e-14 | PASS |