Input 01-nio.02-unocc.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
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) | -2.586286420000000e+00 | -2.586286490000000e+00 | 2.100000000000000e-05 | 7.000000001866624e-08 | PASS |
| Band structure E2(k1) | -2.581305050000000e+00 | -2.581305125000000e+00 | 2.100000000000000e-05 | 7.499999998827889e-08 | PASS |
| Band structure E3(k1) | -2.580170380000000e+00 | -2.580170260000000e+00 | 8.199999999999999e-06 | -1.200000001588819e-07 | PASS |
| Band structure E1(k1) | -2.586286420000000e+00 | -2.586286490000000e+00 | 2.100000000000000e-05 | 7.000000001866624e-08 | PASS |
| Band structure E2(k1) | -2.581305050000000e+00 | -2.581305125000000e+00 | 2.100000000000000e-05 | 7.499999998827889e-08 | PASS |