Input 13-absorption-spin.04-spectrum.inp
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 |