Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167130e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.296740492762183e-13 | PASS |
| Energy [step 50] | -1.261322168663084e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.437694987151190e-14 | PASS |
| Energy [step 100] | -1.261322168663108e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.076916333886402e-13 | PASS |
| Energy [step 150] | -1.261322168663138e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.381117442633695e-13 | PASS |
| Energy [step 200] | -1.261322168663168e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.678657213233237e-13 | PASS |
| Density matrix [step 50] | 8.223000000000000e-01 | 8.223000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix [step 100] | 8.215000000000000e-01 | 8.215000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix [step 150] | 8.210000000000000e-01 | 8.210000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix [step 200] | 8.206000000000000e-01 | 8.206000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |