Input 07-casida-photons.05-elpa-parother.inp
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| 5th Casida E | 4.432069210000000e-01 | 4.432069280000000e-01 | 1.000000000000000e-04 | -7.000000024071085e-09 | PASS |
| 5th Casida f | 3.960998410000000e-03 | 3.960987310000000e-03 | 1.000000000000000e-04 | 1.110000000074940e-08 | PASS |
| 8th Casida E | 4.473597260000000e-01 | 4.473597300000000e-01 | 1.000000000000000e-04 | -3.999999997894577e-09 | PASS |
| 8th Casida f | 2.507893160000000e-03 | 2.507895750000000e-03 | 1.000000000000000e-04 | -2.590000000059212e-09 | PASS |
| 15th Casida E | 5.054261200000000e-01 | 5.054261190000000e-01 | 1.000000000000000e-04 | 9.999999717180685e-10 | PASS |
| 15th Casida f | 1.105627880000000e-02 | 1.105628300000000e-02 | 1.000000000000000e-04 | -4.200000000564863e-09 | PASS |
| 22nd Casida E | 5.129769610000000e-01 | 5.129769530000000e-01 | 1.000000000000000e-04 | 7.999999995789153e-09 | PASS |
| 22nd Casida f | 9.975994639999999e-03 | 9.975949670000000e-03 | 1.000000000000000e-04 | 4.496999999985263e-08 | PASS |
| 28th Casida E | 5.678012360000000e-01 | 5.678012099999999e-01 | 1.000000000000000e-04 | 2.600000004182590e-08 | PASS |
| 28th Casida f | 9.521143870000000e-03 | 9.521304240000000e-03 | 1.000000000000000e-04 | -1.603700000001734e-07 | PASS |
| 31st Casida E | 5.754359790000000e-01 | 5.754360220000000e-01 | 1.000000000000000e-04 | -4.300000000512227e-08 | PASS |
| 31st Casida f | 1.208295850000000e-02 | 1.208318630000000e-02 | 1.000000000000000e-04 | -2.278000000004859e-07 | PASS |
| 36th Casida E | 1.000093140000000e+00 | 1.000093140000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 15th Casida el | 4.885049320000000e-01 | 4.885050760000000e-01 | 1.000000000000000e-04 | -1.439999999797159e-07 | PASS |
| 15th Casida ph | 5.114950680000000e-01 | 5.114949240000000e-01 | 1.000000000000000e-04 | 1.440000000352271e-07 | PASS |
| 31st Casida el | 4.877270770000000e-01 | 4.877283630000000e-01 | 1.000000000000000e-04 | -1.285999999989240e-06 | PASS |
| 31st Casida ph | 5.122729230000000e-01 | 5.122716370000000e-01 | 1.000000000000000e-04 | 1.286000000044751e-06 | PASS |