Input 01-nio.02-unocc.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_cmake: [foss2022a-mpi, foss-min-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) -2.586286570000000e+00 -2.586286490000000e+00 2.100000000000000e-05 -7.999999995789153e-08 PASS
Band structure E2(k1) -2.581305220000000e+00 -2.581305125000000e+00 2.100000000000000e-05 -9.499999986672947e-08 PASS
Band structure E3(k1) -2.580170320000000e+00 -2.580170260000000e+00 8.199999999999999e-06 -6.000000007944095e-08 PASS
Band structure E1(k1) -2.586286570000000e+00 -2.586286490000000e+00 2.100000000000000e-05 -7.999999995789153e-08 PASS
Band structure E2(k1) -2.581305220000000e+00 -2.581305125000000e+00 2.100000000000000e-05 -9.499999986672947e-08 PASS
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