Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run intel_omp_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619877e+01 | -1.351221987619888e+01 | 2.640000000000000e-13 | 1.065814103640150e-13 | PASS |
| Energy [step 103] | -1.351222686779599e+01 | -1.351222686779602e+01 | 2.760000000000000e-13 | 2.664535259100376e-14 | PASS |
| Multipoles [step 83] | 5.517961617312439e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | -1.269279820137470e-13 | PASS |
| Multipoles [step 103] | 3.943654428719418e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -1.774058330794581e-13 | PASS |