Input 13-absorption-spin.04-spectrum.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
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 | 1.557903200000000e+01 | 1.557903200000000e+01 | 7.790000000000000e-06 | 0.000000000000000e+00 | PASS |
| Energy 1 | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 1 | 5.628209400000000e-02 | 5.628209300000000e-02 | 2.810000000000000e-08 | 9.999999994736442e-10 | PASS |
| Anisotropy 1 | 6.377999099999999e-02 | 6.377999099999999e-02 | 3.190000000000000e-15 | 0.000000000000000e+00 | PASS |
| Energy 2 | 2.000000000000000e+00 | 2.000000000000000e+00 | 2.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 2 | 1.959494100000000e-01 | 1.959494100000000e-01 | 9.800000000000000e-08 | 0.000000000000000e+00 | PASS |
| Anisotropy 2 | 2.111617900000000e-01 | 2.111617900000000e-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 | 3.356676500000000e-01 | 3.356676500000000e-01 | 1.680000000000000e-07 | 0.000000000000000e+00 | PASS |
| Anisotropy 3 | 3.393105600000000e-01 | 3.393105600000000e-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 | 3.763748700000000e-01 | 3.763748700000000e-01 | 1.880000000000000e-07 | 0.000000000000000e+00 | PASS |
| Anisotropy 4 | 3.572343100000000e-01 | 3.572343100000000e-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 | 2.829798300000000e-01 | 2.829798300000000e-01 | 1.410000000000000e-07 | 0.000000000000000e+00 | PASS |
| Anisotropy 5 | 2.543714500000000e-01 | 2.543714500000000e-01 | 1.270000000000000e-07 | 0.000000000000000e+00 | PASS |
| Energy 6 | 6.000000000000000e+00 | 6.000000000000000e+00 | 6.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 6 | 1.258291900000000e-01 | 1.258291900000000e-01 | 6.290000000000000e-08 | 0.000000000000000e+00 | PASS |
| Anisotropy 6 | 1.090871000000000e-01 | 1.090871000000000e-01 | 5.450000000000000e-07 | 0.000000000000000e+00 | PASS |
| Energy 7 | 7.000000000000000e+00 | 7.000000000000000e+00 | 7.000000000000001e-02 | 0.000000000000000e+00 | PASS |
| Sigma 7 | 1.505488300000000e-02 | 1.505488200000000e-02 | 7.530000000000000e-09 | 9.999999994736442e-10 | PASS |
| Anisotropy 7 | 1.595696500000000e-02 | 1.595696500000000e-02 | 7.979999999999999e-09 | 0.000000000000000e+00 | PASS |
| Energy 8 | 8.000000000000000e+00 | 8.000000000000000e+00 | 8.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 8 | -6.916619400000000e-03 | -6.916620600000000e-03 | 3.460000000000000e-09 | 1.200000000409207e-09 | PASS |
| Anisotropy 8 | 9.033372099999999e-03 | 9.033371400000000e-03 | 4.520000000000000e-09 | 6.999999989376615e-10 | PASS |
| Energy 9 | 9.000000000000000e+00 | 9.000000000000000e+00 | 9.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 9 | 1.346893700000000e-02 | 1.346893700000000e-02 | 6.730000000000000e-09 | 0.000000000000000e+00 | PASS |
| Anisotropy 9 | 2.065164200000000e-02 | 2.065164200000000e-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 | 1.897829600000000e-02 | 1.897829700000000e-02 | 9.489999999999999e-09 | -1.000000002943091e-09 | PASS |
| Anisotropy 10 | 1.961990300000000e-02 | 1.961990400000000e-02 | 9.810000000000000e-09 | -9.999999994736442e-10 | PASS |