Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523193e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -4.618527782440651e-14 | PASS |
| Energy [step 52] | -1.351221767670763e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -8.526512829121202e-14 | PASS |
| Multipoles [step 0] | -4.825980472527986e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.825980472527986e-16 | PASS |
| Multipoles [step 52] | -3.817238054783866e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -1.047035722012701e-14 | PASS |