Input 01-nio.02-unocc.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_foss-2022a_cuda_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) -3.090994700000000e+00 -3.090994680000000e+00 2.000000000000000e-06 -2.000000032253979e-08 PASS
Band structure E2(k1) -3.083676810000000e+00 -3.083676780000000e+00 5.000000000000000e-06 -3.000000026176508e-08 PASS
Band structure E3(k1) -3.077291430000000e+00 -3.077291730000000e+00 5.500000000000000e-07 3.000000003972048e-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
Compare to other inputs