Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167102e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -1.021405182655144e-13 | PASS |
| Energy [step 50] | -1.261322168663055e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -5.462297281155770e-14 | PASS |
| Energy [step 100] | -1.261322168663082e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.237854842718662e-14 | PASS |
| Energy [step 150] | -1.261322168663110e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.096900348329655e-13 | PASS |
| Energy [step 200] | -1.261322168663140e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.401101457076948e-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 |