Input 13-absorption-spin.04-spectrum.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-serial-debug: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Electronic sum rule | 9.606020000000000e-01 | 9.606020000000000e-01 | 4.800000000000000e-05 | 0.000000000000000e+00 | PASS |
| Static polarizability | 1.557904200000000e+01 | 1.557904200000000e+01 | 7.790000000000000e-13 | -1.776356839400250e-15 | PASS |
| Energy 1 | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 1 | 5.628211400000000e-02 | 5.628209300000000e-02 | 2.810000000000000e-08 | 2.100000000282432e-08 | PASS |
| Anisotropy 1 | 6.378006999999999e-02 | 6.378006999999999e-02 | 6.380000000000000e-16 | 0.000000000000000e+00 | PASS |
| Energy 2 | 2.000000000000000e+00 | 2.000000000000000e+00 | 2.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 2 | 1.959496300000000e-01 | 1.959496300000000e-01 | 9.800000000000000e-08 | 0.000000000000000e+00 | PASS |
| Anisotropy 2 | 2.111621100000000e-01 | 2.111621100000000e-01 | 1.060000000000000e-07 | 0.000000000000000e+00 | PASS |
| Energy 3 | 3.000000000000000e+00 | 3.000000000000000e+00 | 3.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 3 | 3.356682100000000e-01 | 3.356682100000000e-01 | 1.680000000000000e-07 | 0.000000000000000e+00 | PASS |
| Anisotropy 3 | 3.393111000000000e-01 | 3.393111000000000e-01 | 1.700000000000000e-07 | 0.000000000000000e+00 | PASS |
| Energy 4 | 4.000000000000000e+00 | 4.000000000000000e+00 | 4.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 4 | 3.763753500000000e-01 | 3.763753500000000e-01 | 1.880000000000000e-07 | 0.000000000000000e+00 | PASS |
| Anisotropy 4 | 3.572346700000000e-01 | 3.572346700000000e-01 | 1.790000000000000e-07 | 0.000000000000000e+00 | PASS |
| Energy 5 | 5.000000000000000e+00 | 5.000000000000000e+00 | 5.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 5 | 2.829796300000000e-01 | 2.829796300000000e-01 | 1.410000000000000e-07 | 0.000000000000000e+00 | PASS |
| Anisotropy 5 | 2.543711900000000e-01 | 2.543711900000000e-01 | 2.540000000000000e-15 | 0.000000000000000e+00 | PASS |
| Energy 6 | 6.000000000000000e+00 | 6.000000000000000e+00 | 6.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 6 | 1.258284300000000e-01 | 1.258284300000000e-01 | 6.290000000000000e-10 | 0.000000000000000e+00 | PASS |
| Anisotropy 6 | 1.090864300000000e-01 | 1.090864300000000e-01 | 5.450000000000000e-08 | 0.000000000000000e+00 | PASS |
| Energy 7 | 7.000000000000000e+00 | 7.000000000000000e+00 | 7.000000000000001e-02 | 0.000000000000000e+00 | PASS |
| Sigma 7 | 1.505437100000000e-02 | 1.505437100000000e-02 | 7.530000000000000e-09 | 0.000000000000000e+00 | PASS |
| Anisotropy 7 | 1.595661600000000e-02 | 1.595661600000000e-02 | 7.980000000000000e-16 | -3.469446951953614e-18 | PASS |
| Energy 8 | 8.000000000000000e+00 | 8.000000000000000e+00 | 8.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 8 | -6.916492800000000e-03 | -6.916492800000000e-03 | 3.460000000000000e-09 | 0.000000000000000e+00 | PASS |
| Anisotropy 8 | 9.033433000000000e-03 | 9.033433000000000e-03 | 4.520000000000000e-08 | 0.000000000000000e+00 | PASS |
| Energy 9 | 9.000000000000000e+00 | 9.000000000000000e+00 | 9.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 9 | 1.346920800000000e-02 | 1.346920800000000e-02 | 6.730000000000000e-09 | 0.000000000000000e+00 | PASS |
| Anisotropy 9 | 2.065182800000000e-02 | 2.065182800000000e-02 | 1.030000000000000e-08 | 0.000000000000000e+00 | PASS |
| Energy 10 | 1.000000000000000e+01 | 1.000000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 10 | 1.897821000000000e-02 | 1.897821000000000e-02 | 1.900000000000000e-16 | -3.469446951953614e-18 | PASS |
| Anisotropy 10 | 1.961977800000000e-02 | 1.961977800000000e-02 | 1.960000000000000e-16 | 0.000000000000000e+00 | PASS |