Input 20-eigensolver.07-chebyshev.inp
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
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 | -8.140946000000000e+00 | -8.140946000000000e+00 | 4.070000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 | -8.140946000000000e+00 | -8.140946000000000e+00 | 4.070000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 4 | -8.106232000000000e+00 | -8.106232000000000e+00 | 8.110000000000000e-14 | 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 |