Input 01-nio.02-unocc.inp

Commits > Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f > Run intel_omp_autotools: [intel2023a-serial]

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 -2.586807600000000e+00 1.300000000000000e-06 0.000000000000000e+00 PASS
Band structure E2(k1) -2.581886700000000e+00 -2.581887100000000e+00 1.300000000000000e-06 3.999999997894577e-07 PASS
Band structure E3(k1) -2.579834130000000e+00 -2.579833210000000e+00 1.300000000000000e-06 -9.200000001818864e-07 PASS
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