Input 12-absorption.04-spectrum.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Electronic sum rule | 9.643850000000000e-01 | 9.643850000000000e-01 | 4.820000000000000e-05 | 0.000000000000000e+00 | PASS |
| Static polarizability | 1.643849200000000e+01 | 1.643849200000000e+01 | 8.219999999999999e-06 | 0.000000000000000e+00 | PASS |
| Energy 1 | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 1 | 6.129813600000000e-02 | 6.129813600000000e-02 | 3.060000000000000e-08 | 0.000000000000000e+00 | PASS |
| Anisotropy 1 | 7.073624000000001e-02 | 7.073623999999999e-02 | 3.540000000000000e-07 | 1.387778780781446e-17 | PASS |
| Energy 2 | 2.000000000000000e+00 | 2.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 2 | 2.088946300000000e-01 | 2.088946300000000e-01 | 1.040000000000000e-07 | 0.000000000000000e+00 | PASS |
| Anisotropy 2 | 2.286617600000000e-01 | 2.286617600000000e-01 | 1.140000000000000e-07 | 0.000000000000000e+00 | PASS |
| Energy 3 | 3.000000000000000e+00 | 3.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 3 | 3.476240300000000e-01 | 3.476240300000000e-01 | 1.740000000000000e-07 | 0.000000000000000e+00 | PASS |
| Anisotropy 3 | 3.546447600000000e-01 | 3.546447600000000e-01 | 1.770000000000000e-07 | 0.000000000000000e+00 | PASS |
| Energy 4 | 4.000000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 4 | 3.773875100000000e-01 | 3.773875100000000e-01 | 1.890000000000000e-07 | 0.000000000000000e+00 | PASS |
| Anisotropy 4 | 3.581512100000000e-01 | 3.581512100000000e-01 | 1.790000000000000e-07 | 0.000000000000000e+00 | PASS |
| Energy 5 | 5.000000000000000e+00 | 5.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 5 | 2.736851900000000e-01 | 2.736851900000000e-01 | 1.370000000000000e-07 | 0.000000000000000e+00 | PASS |
| Anisotropy 5 | 2.440914200000000e-01 | 2.440914200000000e-01 | 1.220000000000000e-07 | 0.000000000000000e+00 | PASS |
| Energy 6 | 6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 6 | 1.154789700000000e-01 | 1.154789700000000e-01 | 5.770000000000000e-08 | 0.000000000000000e+00 | PASS |
| Anisotropy 6 | 1.001082900000000e-01 | 1.001082900000000e-01 | 5.010000000000000e-08 | 0.000000000000000e+00 | PASS |
| Energy 7 | 7.000000000000000e+00 | 7.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 7 | 1.039818300000000e-02 | 1.039818300000000e-02 | 5.200000000000000e-09 | 0.000000000000000e+00 | PASS |
| Anisotropy 7 | 1.544701900000000e-02 | 1.544701900000000e-02 | 7.720000000000001e-09 | -1.734723475976807e-18 | PASS |
| Energy 8 | 8.000000000000000e+00 | 8.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 8 | -7.102321200000000e-03 | -7.102321200000000e-03 | 3.550000000000000e-09 | 0.000000000000000e+00 | PASS |
| Anisotropy 8 | 9.100278300000000e-03 | 9.100278300000000e-03 | 4.550000000000000e-09 | 0.000000000000000e+00 | PASS |
| Energy 9 | 9.000000000000000e+00 | 9.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 9 | 1.333352200000000e-02 | 1.333352200000000e-02 | 6.670000000000000e-09 | 0.000000000000000e+00 | PASS |
| Anisotropy 9 | 1.960143700000000e-02 | 1.960143700000000e-02 | 9.800000000000000e-09 | 0.000000000000000e+00 | PASS |
| Energy 10 | 1.000000000000000e+01 | 1.000000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 10 | 1.744578700000000e-02 | 1.744578700000000e-02 | 8.720000000000000e-09 | 0.000000000000000e+00 | PASS |
| Anisotropy 10 | 1.723081000000000e-02 | 1.723081000000000e-02 | 8.620000000000000e-08 | 0.000000000000000e+00 | PASS |