Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167141e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.407762795224698e-13 | PASS |
| Energy [step 50] | -1.261322168663095e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -9.481304630298837e-14 | PASS |
| Energy [step 100] | -1.261322168663123e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.227906665235423e-13 | PASS |
| Energy [step 150] | -1.261322168663150e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.503241975342462e-13 | PASS |
| Energy [step 200] | -1.261322168663183e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.831867990631508e-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 |