Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_min_autotools: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167131e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.307842723008434e-13 | PASS |
| Energy [step 50] | -1.261322168663084e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.393286066166183e-14 | PASS |
| Energy [step 100] | -1.261322168663111e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.110223024625157e-13 | PASS |
| Energy [step 150] | -1.261322168663137e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.372235658436693e-13 | PASS |
| Energy [step 200] | -1.261322168663169e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.687538997430238e-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 |