Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619890e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | -2.131628207280301e-14 | PASS |
| Energy [step 103] | -1.351222686779592e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | 9.947598300641403e-14 | PASS |
| Multipoles [step 83] | 5.517961618425202e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | -1.565165098221799e-14 | PASS |
| Multipoles [step 103] | 3.943654428902206e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | 5.381979584218044e-15 | PASS |