Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523187e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 52] | -1.351221767670770e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -1.598721155460225e-13 | PASS |
| Multipoles [step 0] | 2.629320070974799e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.629320070974799e-16 | PASS |
| Multipoles [step 52] | -3.817238054770695e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | 2.700964452095889e-15 | PASS |