Input 01-nio.02-unocc.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Red. coord. k1 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 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 |
| Band structure E1(k1) | -3.091353910000000e+00 | -3.091354580000000e+00 | 1.130000000000000e-06 | 6.699999999248973e-07 | PASS |
| Band structure E2(k1) | -3.084028850000000e+00 | -3.084029550000000e+00 | 1.160000000000000e-06 | 6.999999997425732e-07 | PASS |
| Band structure E3(k1) | -3.077649260000000e+00 | -3.077649460000000e+00 | 5.660000000000000e-07 | 2.000000001167734e-07 | 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 | 1.010000000000000e-06 | 0.000000000000000e+00 | PASS |