Input 12-absorption.04-spectrum.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Electronic sum rule | 9.637050000000000e-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 |