Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523189e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 52] | -1.351221767670754e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | 3.552713678800501e-15 | PASS |
| Multipoles [step 0] | -1.658381246378730e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.658381246378730e-16 | PASS |
| Multipoles [step 52] | -3.817238054811255e-03 | -3.817238054777976e-03 | 6.990000000000000e-14 | -3.327893516313907e-14 | PASS |