Input 12-absorption.04-spectrum.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Electronic sum rule |
9.637050000000000e-01 |
9.637050000000000e-01 |
4.820000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Static polarizability |
1.610348600000000e+01 |
1.610347400000000e+01 |
1.610000000000000e-13 |
1.199999999812462e-05 |
FAIL |
| Energy 1 |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 1 |
5.923975100000000e-02 |
5.923971700000000e-02 |
5.920000000000000e-10 |
3.400000000292058e-08 |
FAIL |
| Anisotropy 1 |
6.967902800000000e-02 |
6.967891800000001e-02 |
3.480000000000000e-08 |
1.099999999976120e-07 |
FAIL |
| Energy 2 |
2.000000000000000e+00 |
2.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 2 |
2.037330400000000e-01 |
2.037328000000000e-01 |
1.020000000000000e-06 |
2.400000000124525e-07 |
PASS |
| Anisotropy 2 |
2.260068200000000e-01 |
2.260064500000000e-01 |
1.130000000000000e-07 |
3.699999999995374e-07 |
FAIL |
| Energy 3 |
3.000000000000000e+00 |
3.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 3 |
3.433742800000000e-01 |
3.433737200000000e-01 |
1.720000000000000e-07 |
5.599999999827965e-07 |
FAIL |
| Anisotropy 3 |
3.526471500000000e-01 |
3.526466000000000e-01 |
1.760000000000000e-06 |
5.500000000435712e-07 |
PASS |
| Energy 4 |
4.000000000000000e+00 |
4.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 4 |
3.783210500000000e-01 |
3.783206000000000e-01 |
1.890000000000000e-06 |
4.499999999851845e-07 |
PASS |
| Anisotropy 4 |
3.594378100000000e-01 |
3.594375000000000e-01 |
1.800000000000000e-06 |
3.100000000033631e-07 |
PASS |
| Energy 5 |
5.000000000000000e+00 |
5.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 5 |
2.791532600000000e-01 |
2.791534800000000e-01 |
1.400000000000000e-07 |
-2.199999999952240e-07 |
FAIL |
| Anisotropy 5 |
2.484921300000000e-01 |
2.484924200000000e-01 |
1.240000000000000e-07 |
-2.899999999861347e-07 |
FAIL |
| Energy 6 |
6.000000000000000e+00 |
6.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 6 |
1.208307400000000e-01 |
1.208315000000000e-01 |
6.040000000000000e-07 |
-7.599999999885476e-07 |
FAIL |
| Anisotropy 6 |
1.048898100000000e-01 |
1.048904400000000e-01 |
5.240000000000000e-08 |
-6.300000000014627e-07 |
FAIL |
| Energy 7 |
7.000000000000000e+00 |
7.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 7 |
1.218552800000000e-02 |
1.218601800000000e-02 |
6.090000000000000e-09 |
-4.900000000005594e-07 |
FAIL |
| Anisotropy 7 |
1.845329600000000e-02 |
1.845356000000000e-02 |
9.230000000000000e-08 |
-2.639999999998199e-07 |
FAIL |
| Energy 8 |
8.000000000000000e+00 |
8.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 8 |
-8.294315199999999e-03 |
-8.294447300000000e-03 |
4.150000000000000e-09 |
1.321000000012451e-07 |
FAIL |
| Anisotropy 8 |
9.141259400000001e-03 |
9.141226100000000e-03 |
4.570000000000000e-09 |
3.330000000051347e-08 |
FAIL |
| Energy 9 |
9.000000000000000e+00 |
9.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 9 |
1.178246900000000e-02 |
1.178221200000000e-02 |
5.890000000000000e-09 |
2.570000000000350e-07 |
FAIL |
| Anisotropy 9 |
1.888294100000000e-02 |
1.888278600000000e-02 |
9.440000000000000e-09 |
1.550000000016816e-07 |
FAIL |
| Energy 10 |
1.000000000000000e+01 |
1.000000000000000e+01 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Sigma 10 |
1.704868500000000e-02 |
1.704877800000000e-02 |
8.520000000000000e-09 |
-9.299999999962116e-08 |
FAIL |
| Anisotropy 10 |
1.701516500000000e-02 |
1.701530100000000e-02 |
8.510000000000000e-09 |
-1.360000000012740e-07 |
FAIL |