Input 16-sodium_chain_cylinder.02-unocc.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Bands n=1,k=1 | -3.620263000000000e+00 | -3.620263000000000e+00 | 1.810000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=1,k=2 | -3.470335000000000e+00 | -3.470335000000000e+00 | 1.740000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=1,k=3 | -3.022736000000000e+00 | -3.022736000000000e+00 | 1.510000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=1,k=4 | -2.284383000000000e+00 | -2.284383000000000e+00 | 1.140000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=1,k=5 | -1.340414000000000e+00 | -1.340414000000000e+00 | 6.700000000000000e-06 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=1 | -1.157752000000000e+00 | -1.157752000000000e+00 | 5.790000000000000e-06 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=2 | -1.014988000000000e+00 | -1.014988000000000e+00 | 5.070000000000000e-06 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=3 | -5.870670000000000e-01 | -5.870670000000000e-01 | 2.940000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=4 | 2.124700000000000e-02 | 2.124700000000000e-02 | 1.060000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=5 | -1.182111000000000e+00 | -1.182111000000000e+00 | 5.910000000000000e-06 | 0.000000000000000e+00 | PASS |