Input 01-nio.02-unocc.inp

Commits > Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f > Run foss-cmake-zen4: [foss2023a-serial, foss-min]

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) -2.586807600000000e+00 -2.586806500000000e+00 1.290000000000000e-06 -1.099999999976120e-06 PASS
Band structure E2(k1) -2.581886700000000e+00 -2.581885500000000e+00 1.290000000000000e-06 -1.199999999812462e-06 PASS
Band structure E3(k1) -2.579834130000000e+00 -2.579833920000000e+00 2.370000000000000e-07 -2.100000005000879e-07 PASS
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