Input 13-absorption-spin.04-spectrum.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
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 | 1.557903200000000e+01 | 7.790000000000000e-06 | 9.999999999621423e-06 | FAIL |
| 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 | 6.377999099999999e-02 | 3.190000000000000e-15 | 7.900000000005125e-08 | FAIL |
| Energy 2 | 2.000000000000000e+00 | 2.000000000000000e+00 | 2.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 2 | 1.959496300000000e-01 | 1.959494100000000e-01 | 9.800000000000000e-08 | 2.200000000229796e-07 | FAIL |
| Anisotropy 2 | 2.111621100000000e-01 | 2.111617900000000e-01 | 1.060000000000000e-07 | 3.199999999980996e-07 | FAIL |
| Energy 3 | 3.000000000000000e+00 | 3.000000000000000e+00 | 3.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 3 | 3.356682100000000e-01 | 3.356676500000000e-01 | 1.680000000000000e-07 | 5.600000000383076e-07 | FAIL |
| Anisotropy 3 | 3.393111000000000e-01 | 3.393105600000000e-01 | 1.700000000000000e-07 | 5.399999999933236e-07 | FAIL |
| Energy 4 | 4.000000000000000e+00 | 4.000000000000000e+00 | 4.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 4 | 3.763753500000000e-01 | 3.763748700000000e-01 | 1.880000000000000e-07 | 4.800000000249049e-07 | FAIL |
| Anisotropy 4 | 3.572346700000000e-01 | 3.572343100000000e-01 | 1.790000000000000e-07 | 3.599999999770453e-07 | FAIL |
| Energy 5 | 5.000000000000000e+00 | 5.000000000000000e+00 | 5.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 5 | 2.829796300000000e-01 | 2.829798300000000e-01 | 1.410000000000000e-07 | -2.000000000057511e-07 | FAIL |
| Anisotropy 5 | 2.543711900000000e-01 | 2.543714500000000e-01 | 1.270000000000000e-07 | -2.599999999741698e-07 | FAIL |
| Energy 6 | 6.000000000000000e+00 | 6.000000000000000e+00 | 6.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 6 | 1.258284300000000e-01 | 1.258291900000000e-01 | 6.290000000000000e-08 | -7.600000000163032e-07 | FAIL |
| Anisotropy 6 | 1.090864300000000e-01 | 1.090871000000000e-01 | 5.450000000000000e-07 | -6.700000000081641e-07 | FAIL |
| Energy 7 | 7.000000000000000e+00 | 7.000000000000000e+00 | 7.000000000000001e-02 | 0.000000000000000e+00 | PASS |
| Sigma 7 | 1.505437100000000e-02 | 1.505488200000000e-02 | 7.530000000000000e-09 | -5.109999999999143e-07 | FAIL |
| Anisotropy 7 | 1.595661600000000e-02 | 1.595696500000000e-02 | 7.979999999999999e-09 | -3.490000000001825e-07 | FAIL |
| Energy 8 | 8.000000000000000e+00 | 8.000000000000000e+00 | 8.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 8 | -6.916492800000000e-03 | -6.916620600000000e-03 | 3.460000000000000e-09 | 1.278000000002125e-07 | FAIL |
| Anisotropy 8 | 9.033433000000000e-03 | 9.033371400000000e-03 | 4.520000000000000e-09 | 6.160000000018928e-08 | FAIL |
| Energy 9 | 9.000000000000000e+00 | 9.000000000000000e+00 | 9.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Sigma 9 | 1.346920800000000e-02 | 1.346893700000000e-02 | 6.730000000000000e-09 | 2.709999999996049e-07 | FAIL |
| Anisotropy 9 | 2.065182800000000e-02 | 2.065164200000000e-02 | 1.030000000000000e-08 | 1.859999999992423e-07 | FAIL |
| Energy 10 | 1.000000000000000e+01 | 1.000000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 10 | 1.897821000000000e-02 | 1.897829700000000e-02 | 9.489999999999999e-09 | -8.700000000277930e-08 | FAIL |
| Anisotropy 10 | 1.961977800000000e-02 | 1.961990400000000e-02 | 9.810000000000000e-09 | -1.259999999995987e-07 | FAIL |