Input 21-scissor.03-spectrum.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Electronic sum rule | 2.542644000000000e+00 | 2.542638000000000e+00 | 1.270000000000000e-05 | 5.999999999950489e-06 | PASS |
| Static polarizability | 9.788231000000000e+00 | 9.788202000000000e+00 | 4.890000000000000e-05 | 2.899999999961267e-05 | PASS |
| Energy 2 | 2.000000000000000e+00 | 2.000000000000000e+00 | 2.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 2 | 6.186155900000000e-02 | 6.186135300000000e-02 | 3.090000000000000e-08 | 2.060000000025930e-07 | FAIL |
| Energy 4 | 4.000000000000000e+00 | 4.000000000000000e+00 | 4.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 4 | 2.298911400000000e-01 | 2.298904200000000e-01 | 1.150000000000000e-07 | 7.199999999818463e-07 | FAIL |
| Energy 6 | 6.000000000000000e+00 | 6.000000000000000e+00 | 6.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 6 | 4.568350900000000e-01 | 4.568337700000000e-01 | 2.280000000000000e-07 | 1.320000000026855e-06 | FAIL |
| Energy 8 | 8.000000000000000e+00 | 8.000000000000000e+00 | 8.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 8 | 6.801468500000000e-01 | 6.801452000000000e-01 | 3.400000000000000e-06 | 1.649999999964180e-06 | PASS |
| Energy 10 | 1.000000000000000e+01 | 1.000000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 10 | 8.405641800000000e-01 | 8.405625900000000e-01 | 4.200000000000000e-07 | 1.589999999995761e-06 | FAIL |