Input 01-nio.02-unocc.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Band structure k1x | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Band structure k1y | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Band structure k1z | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Red. coord. k1 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Red. coord. k3 | 5.000000000000000e-01 | 5.000000000000000e-01 | 2.500000000000000e+00 | 0.000000000000000e+00 | PASS |
| Band structure k3x | -1.562000000000000e-02 | -1.562000000000000e-02 | 7.810000000000000e-05 | 1.734723475976807e-18 | PASS |
| Band structure E1(k1) | -2.586286350000000e+00 | -2.586286490000000e+00 | 2.100000000000000e-05 | 1.400000000373325e-07 | PASS |
| Band structure E2(k1) | -2.581304970000000e+00 | -2.581305125000000e+00 | 2.100000000000000e-05 | 1.549999999461704e-07 | PASS |
| Band structure E3(k1) | -2.580170340000000e+00 | -2.580170260000000e+00 | 8.199999999999999e-06 | -7.999999995789153e-08 | PASS |
| Band structure E1(k1) | -2.586286350000000e+00 | -2.586286490000000e+00 | 2.100000000000000e-05 | 1.400000000373325e-07 | PASS |
| Band structure E2(k1) | -2.581304970000000e+00 | -2.581305125000000e+00 | 2.100000000000000e-05 | 1.549999999461704e-07 | PASS |