Input 01-cosh_2e_1d.02-td.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.271322167167099e+00 | -1.271322167167000e+00 | 1.000000000000000e-04 | -9.858780458671390e-14 | PASS |
| Energy [step 50] | -1.261322168663054e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -5.351274978693255e-14 | PASS |
| Energy [step 100] | -1.261322168663083e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -8.260059303211165e-14 | PASS |
| Energy [step 150] | -1.261322168663112e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.121325254871408e-13 | PASS |
| Energy [step 200] | -1.261322168663142e+00 | -1.261322168663000e+00 | 1.000000000000000e-04 | -1.414424133372449e-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 |