Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167139e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.387778780781446e-13 | PASS |
| Energy [step 50] | -1.261322168663095e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -9.503509090791340e-14 | PASS |
| Energy [step 100] | -1.261322168663123e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.227906665235423e-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 | -1.818545314336006e-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 |