Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
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] | -1.261322168663087e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.659739592076221e-14 | PASS |
| Energy [step 100] | -1.261322168663109e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.085798118083403e-13 | PASS |
| Energy [step 150] | -1.261322168663137e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.370015212387443e-13 | PASS |
| Energy [step 200] | -1.261322168663169e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.691979889528739e-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 |