Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523207e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -1.900701818158268e-13 | PASS |
| Energy [step 52] | -1.351221767670786e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -3.161915174132446e-13 | PASS |
| Multipoles [step 0] | 5.891879413048636e-17 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.891879413048636e-17 | PASS |
| Multipoles [step 52] | -3.817238054771521e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | 1.875236077530928e-15 | PASS |