Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 0c0a0ff03fa1c9b5e42984c9b7f40a807c9ec9b7 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523194e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -5.506706202140776e-14 | PASS |
| Energy [step 52] | -1.351221767670757e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -3.197442310920451e-14 | PASS |
| Multipoles [step 0] | -3.144055791674143e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.144055791674143e-16 | PASS |
| Multipoles [step 52] | -3.817238054765905e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | 7.490535969267853e-15 | PASS |