Input 01-nio.02-unocc.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_min_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) | -2.586286700000000e+00 | -2.586286490000000e+00 | 2.100000000000000e-05 | -2.100000000559987e-07 | PASS |
| Band structure E2(k1) | -2.581305340000000e+00 | -2.581305125000000e+00 | 2.100000000000000e-05 | -2.150000000256114e-07 | PASS |
| Band structure E3(k1) | -2.580170520000000e+00 | -2.580170260000000e+00 | 8.199999999999999e-06 | -2.599999997521252e-07 | PASS |
| Band structure E1(k1) | -2.586286700000000e+00 | -2.586286490000000e+00 | 2.100000000000000e-05 | -2.100000000559987e-07 | PASS |
| Band structure E2(k1) | -2.581305340000000e+00 | -2.581305125000000e+00 | 2.100000000000000e-05 | -2.150000000256114e-07 | PASS |