Input 01-nio.02-unocc.inp

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Run spack_intel-2022a_impi_omp

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) -3.091354180000000e+00 -3.091354580000000e+00 1.130000000000000e-06 3.999999997894577e-07 PASS
Band structure E2(k1) -3.084029140000000e+00 -3.084029550000000e+00 1.160000000000000e-06 4.099999997286830e-07 PASS
Band structure E3(k1) -3.077649310000000e+00 -3.077649460000000e+00 5.660000000000000e-07 1.499999999765578e-07 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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