Input 01-nio.02-unocc.inp

Commits > Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 > Run intel-2022b

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 7.000000000000000e-07 -5.000000014021566e-08 PASS
Band structure E2(k1) -3.083676830000000e+00 -3.083676780000000e+00 7.000000000000000e-07 -5.000000014021566e-08 PASS
Band structure E3(k1) -3.077291780000000e+00 -3.077291730000000e+00 5.500000000000000e-07 -4.999999969612645e-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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