Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619896e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | -7.460698725481052e-14 | PASS |
| Energy [step 103] | -1.351222686779616e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | -1.385558334732195e-13 | PASS |
| Multipoles [step 83] | 5.517961619222810e-04 | 5.517961618275108e-04 | 1.210000000000000e-13 | 9.477022031717519e-14 | PASS |
| Multipoles [step 103] | 3.943654428769401e-03 | 3.943654428877074e-03 | 2.080000000000000e-13 | -1.076725514304044e-13 | PASS |