Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167142e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.414424133372449e-13 | PASS |
| Energy [step 50] | -1.261322168663097e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -9.703349235223868e-14 | PASS |
| Energy [step 100] | -1.261322168663122e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.216804434989172e-13 | PASS |
| Energy [step 150] | -1.261322168663151e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.507682867440963e-13 | PASS |
| Energy [step 200] | -1.261322168663182e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.820765760385257e-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 |