Input 07-qoct+tddft.01-ground_state.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Total energy | 3.350893350000000e+00 | 3.350893320000000e+00 | 1.000000000000000e-04 | 3.000000026176508e-08 | PASS |
Eigenvalue | 1.372935000000000e+00 | 1.372935000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Eigenvalue | 1.481456000000000e+00 | 1.481456000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |