Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167138e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.374456104485944e-13 | PASS |
| Energy [step 50] | -1.261322168663097e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -9.658940314238862e-14 | PASS |
| Energy [step 100] | -1.261322168663124e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.239008895481675e-13 | PASS |
| Energy [step 150] | -1.261322168663152e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.521005543736464e-13 | PASS |
| Energy [step 200] | -1.261322168663182e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.816324868286756e-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 |