Input 14-absorption-spinors.04-spectrum.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Electronic sum rule | 9.606390000000000e-01 | 9.606390000000000e-01 | 4.800000000000000e-05 | 0.000000000000000e+00 | PASS |
| Static polarizability | 1.557699500000000e+01 | 1.557697600000000e+01 | 7.790000000000000e-06 | 1.899999999999125e-05 | FAIL |
| Energy 1 | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 1 | 5.626818500000000e-02 | 5.626808100000000e-02 | 2.810000000000000e-08 | 1.040000000007701e-07 | FAIL |
| Anisotropy 1 | 6.375587500000000e-02 | 6.375581000000001e-02 | 3.190000000000000e-08 | 6.499999999354245e-08 | FAIL |
| Energy 2 | 2.000000000000000e+00 | 2.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 2 | 1.959166700000000e-01 | 1.959163900000000e-01 | 9.800000000000000e-08 | 2.799999999913982e-07 | FAIL |
| Anisotropy 2 | 2.111041700000000e-01 | 2.111039000000000e-01 | 1.060000000000000e-06 | 2.699999999966618e-07 | PASS |
| Energy 3 | 3.000000000000000e+00 | 3.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 3 | 3.356469600000000e-01 | 3.356466500000000e-01 | 1.680000000000000e-07 | 3.100000000033631e-07 | FAIL |
| Anisotropy 3 | 3.392690100000000e-01 | 3.392687200000000e-01 | 1.700000000000000e-07 | 2.899999999583791e-07 | FAIL |
| Energy 4 | 4.000000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 4 | 3.763941900000000e-01 | 3.763940800000000e-01 | 1.880000000000000e-07 | 1.099999999976120e-07 | PASS |
| Anisotropy 4 | 3.572507600000000e-01 | 3.572506500000000e-01 | 1.790000000000000e-07 | 1.099999999976120e-07 | PASS |
| Energy 5 | 5.000000000000000e+00 | 5.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 5 | 2.830282200000000e-01 | 2.830283400000000e-01 | 1.420000000000000e-07 | -1.199999999923484e-07 | PASS |
| Anisotropy 5 | 2.544256800000000e-01 | 2.544257600000000e-01 | 1.270000000000000e-07 | -8.000000001340268e-08 | PASS |
| Energy 6 | 6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 6 | 1.258706100000000e-01 | 1.258708200000000e-01 | 6.290000000000000e-08 | -2.100000000004876e-07 | FAIL |
| Anisotropy 6 | 1.091255900000000e-01 | 1.091257700000000e-01 | 5.460000000000000e-08 | -1.800000000024005e-07 | FAIL |
| Energy 7 | 7.000000000000000e+00 | 7.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 7 | 1.506929100000000e-02 | 1.506942600000000e-02 | 7.530000000000000e-09 | -1.350000000000656e-07 | FAIL |
| Anisotropy 7 | 1.594780200000000e-02 | 1.594791200000000e-02 | 7.970000000000000e-09 | -1.100000000010815e-07 | FAIL |
| Energy 8 | 8.000000000000000e+00 | 8.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 8 | -6.919052200000000e-03 | -6.918995400000000e-03 | 3.460000000000000e-09 | -5.680000000028718e-08 | FAIL |
| Anisotropy 8 | 9.046507500000000e-03 | 9.046483899999999e-03 | 4.520000000000000e-09 | 2.360000000110885e-08 | FAIL |
| Energy 9 | 9.000000000000000e+00 | 9.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 9 | 1.346756600000000e-02 | 1.346759200000000e-02 | 6.730000000000000e-09 | -2.600000000019254e-08 | FAIL |
| Anisotropy 9 | 2.066257100000000e-02 | 2.066263000000000e-02 | 1.030000000000000e-07 | -5.900000000017003e-08 | PASS |
| Energy 10 | 1.000000000000000e+01 | 1.000000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Sigma 10 | 1.898194900000000e-02 | 1.898199000000000e-02 | 9.490000000000000e-08 | -4.100000000270554e-08 | PASS |
| Anisotropy 10 | 1.963058000000000e-02 | 1.963064900000000e-02 | 9.820000000000000e-09 | -6.899999999837592e-08 | FAIL |