Input 01-nio.02-unocc.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_mpi_debug_autotools: [foss2023a-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) | -2.586286540000000e+00 | -2.586286490000000e+00 | 2.100000000000000e-05 | -5.000000014021566e-08 | PASS |
| Band structure E2(k1) | -2.581305180000000e+00 | -2.581305125000000e+00 | 2.100000000000000e-05 | -5.500000010982831e-08 | PASS |
| Band structure E3(k1) | -2.580170420000000e+00 | -2.580170260000000e+00 | 8.199999999999999e-06 | -1.599999999157831e-07 | PASS |
| Band structure E1(k1) | -2.586286540000000e+00 | -2.586286490000000e+00 | 2.100000000000000e-05 | -5.000000014021566e-08 | PASS |
| Band structure E2(k1) | -2.581305180000000e+00 | -2.581305125000000e+00 | 2.100000000000000e-05 | -5.500000010982831e-08 | PASS |