Input 20-eigensolver.07-chebyshev.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 4.810000000000000e-02 | 0.000000000000000e+00 | PASS |
| Eigenvalue 1 | -1.453825300000000e+01 | -1.453825300000000e+01 | 1.000000000000000e-07 | 1.776356839400250e-15 | PASS |
| Eigenvalue 2 | -8.140947000000001e+00 | -8.140946999999999e+00 | 1.000000000000000e-07 | -1.776356839400250e-15 | PASS |
| Eigenvalue 3 | -8.140947000000001e+00 | -8.140946999999999e+00 | 1.000000000000000e-07 | -1.776356839400250e-15 | PASS |
| Eigenvalue 4 | -8.106233000000000e+00 | -8.106233000000000e+00 | 1.000000000000000e-07 | 0.000000000000000e+00 | PASS |
| Partial charge 1 | 4.157000000000000e+00 | 4.157000000000000e+00 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |
| Partial charge 2 | 9.610000000000000e-01 | 9.610000000000000e-01 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |
| Partial charge 3 | 9.610000000000000e-01 | 9.610000000000000e-01 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |
| Partial charge 4 | 9.610000000000000e-01 | 9.610000000000000e-01 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |