Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167140e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.394440118929197e-13 | PASS |
| Energy [step 50] | -1.261322168663095e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -9.459100169806334e-14 | PASS |
| Energy [step 100] | -1.261322168663122e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.223465773136923e-13 | PASS |
| Energy [step 150] | -1.261322168663152e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.523225989785715e-13 | PASS |
| Energy [step 200] | -1.261322168663181e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.809663530139005e-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 |