Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523190e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -1.776356839400250e-14 | PASS |
| Energy [step 52] | -1.351221767670750e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | 4.085620730620576e-14 | PASS |
| Multipoles [step 0] | -4.736756813735615e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.736756813735615e-16 | PASS |
| Multipoles [step 52] | -3.817238054787853e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -1.445718544879071e-14 | PASS |