Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619892e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | -4.085620730620576e-14 | PASS |
| Energy [step 103] | -1.351222686779609e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | -6.927791673660977e-14 | PASS |
| Multipoles [step 83] | 5.517961619374916e-04 | 5.517961618275108e-04 | 1.210000000000000e-13 | 1.099808178556261e-13 | PASS |
| Multipoles [step 103] | 3.943654429036076e-03 | 3.943654428877074e-03 | 2.080000000000000e-13 | 1.590021517228202e-13 | PASS |