Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167128e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.274536032269680e-13 | PASS |
| Energy [step 50] | -1.261322168663085e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.459899447643693e-14 | PASS |
| Energy [step 100] | -1.261322168663111e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.110223024625157e-13 | PASS |
| Energy [step 150] | -1.261322168663142e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.416644579421700e-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 |