Input 15-bandstructure.02-unocc.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-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
Compare to other inputs