Input 15-bandstructure.02-unocc.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_mpi_autotools: [intel2023a-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 | 5.000000000000000e-01 | 5.000000000000000e-01 | 5.000000000000000e-03 | 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) | -1.994362300000000e-01 | -1.994362300000000e-01 | 9.970000000000000e-08 | 0.000000000000000e+00 | PASS |
| Band structure E2(k1) | -1.044774200000000e-01 | -1.044774200000000e-01 | 5.220000000000000e-08 | 0.000000000000000e+00 | PASS |
| Band structure E3(k1) | 1.102773700000000e-01 | 1.102773700000000e-01 | 5.510000000000000e-08 | 0.000000000000000e+00 | PASS |
| Red. coord. k3 | 1.320064500000000e-01 | 1.320064500000000e-01 | 6.600000000000000e-08 | 0.000000000000000e+00 | PASS |
| Band structure k3x | 2.500000000000000e-01 | 2.500000000000000e-01 | 2.500000000000000e-03 | 0.000000000000000e+00 | PASS |
| Band structure k3y | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Band structure k3z | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Band structure E7(k3) | 2.829629700000000e-01 | 2.829629200000000e-01 | 1.410000000000000e-07 | 4.999999997368221e-08 | PASS |
| Band structure E8(k3) | 4.089613100000000e-01 | 4.089613100000000e-01 | 2.040000000000000e-07 | 0.000000000000000e+00 | PASS |
| Band structure E9(k3) | 4.185885600000000e-01 | 4.185886500000000e-01 | 2.090000000000000e-07 | -9.000000000813912e-08 | PASS |
| Red. coord. k7 | 3.402268600000000e-01 | 3.402268600000000e-01 | 1.700000000000000e-07 | 0.000000000000000e+00 | PASS |
| Band structure k7x | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Band structure k7y | 1.250000000000000e-01 | 1.250000000000000e-01 | 6.250000000000000e-03 | 0.000000000000000e+00 | PASS |
| Band structure k7z | 1.250000000000000e-01 | 1.250000000000000e-01 | 6.250000000000000e-03 | 0.000000000000000e+00 | PASS |
| Band structure E7(k7) | 2.907609400000000e-01 | 2.907608900000000e-01 | 1.450000000000000e-07 | 5.000000002919336e-08 | PASS |
| Band structure E8(k7) | 3.186701700000000e-01 | 3.186701700000000e-01 | 1.590000000000000e-14 | 0.000000000000000e+00 | PASS |
| Band structure E9(k7) | 3.931644300000000e-01 | 3.931642600000000e-01 | 1.970000000000000e-07 | 1.700000000215418e-07 | PASS |