Input 01-nio.02-unocc.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_intel-2023a_serial

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 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
Band structure E1(k1) -3.090994730000000e+00 -3.090994680000000e+00 2.000000000000000e-06 -5.000000014021566e-08 PASS
Band structure E2(k1) -3.083676840000000e+00 -3.083676780000000e+00 5.000000000000000e-06 -6.000000007944095e-08 PASS
Band structure E3(k1) -3.077291680000000e+00 -3.077291730000000e+00 5.500000000000000e-07 5.000000014021566e-08 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 1.010000000000000e-06 0.000000000000000e+00 PASS
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