Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
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] | -1.261322168663054e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -5.351274978693255e-14 | PASS |
| Energy [step 100] | -1.261322168663082e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.193445921733655e-14 | PASS |
| Energy [step 150] | -1.261322168663110e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.099120794378905e-13 | PASS |
| Energy [step 200] | -1.261322168663140e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.403321903126198e-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 |