Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167127e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.265654248072678e-13 | PASS |
| Energy [step 50] | -1.261322168663082e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.193445921733655e-14 | PASS |
| Energy [step 100] | -1.261322168663112e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.121325254871408e-13 | PASS |
| Energy [step 150] | -1.261322168663141e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.412203687323199e-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 |