Input 21-scissor.03-spectrum.inp
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 |