Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167128e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.281197370417431e-13 | PASS |
| Energy [step 50] | -1.261322168663082e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.149037000748649e-14 | PASS |
| Energy [step 100] | -1.261322168663114e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.139088823265411e-13 | PASS |
| Energy [step 150] | -1.261322168663144e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.434408147815702e-13 | PASS |
| Energy [step 200] | -1.261322168663170e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.698641227676490e-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 |