Input 06-octopus_basics-periodic_systems.03-bandstructure.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
k-point 1 - coord. 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 1 - kx 5.000000000000000e-01 5.000000000000000e-01 2.500000000000000e+00 0.000000000000000e+00 PASS
k-point 1 - ky 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 1 - kz 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 1 - band 1 -1.999194700000000e-01 -1.999194700000000e-01 1.000000000000000e-07 0.000000000000000e+00 PASS
k-point 1 - band 2 -1.047233400000000e-01 -1.047233400000000e-01 5.240000000000000e-08 0.000000000000000e+00 PASS
k-point 1 - band 3 1.104701900000000e-01 1.104701900000000e-01 5.520000000000000e-08 0.000000000000000e+00 PASS
k-point 1 - band 4 1.104701900000000e-01 1.104701900000000e-01 5.520000000000000e-08 0.000000000000000e+00 PASS
k-point 1 - band 5 2.130579500000000e-01 2.130579500000000e-01 1.070000000000000e-07 0.000000000000000e+00 PASS
k-point 1 - band 6 2.768619300000000e-01 2.768619100000000e-01 1.380000000000000e-07 1.999999998947288e-08 PASS
k-point 1 - band 7 2.768619300000000e-01 2.768619300000000e-01 1.380000000000000e-08 0.000000000000000e+00 PASS
k-point 1 - band 8 4.350701700000000e-01 4.350701700000000e-01 2.180000000000000e-07 0.000000000000000e+00 PASS
k-point 1 - band 9 5.443237600000000e-01 5.443239500000000e-01 2.720000000000000e-07 -1.899999999555035e-07 PASS
k-point 36 - coord. 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
k-point 36 - kx 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
k-point 36 - ky 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
k-point 36 - kz 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
k-point 36 - band 1 -2.881603400000000e-01 -2.881603400000000e-01 1.440000000000000e-07 0.000000000000000e+00 PASS
k-point 36 - band 2 1.548341700000000e-01 1.548341700000000e-01 7.740000000000000e-08 0.000000000000000e+00 PASS
k-point 36 - band 3 1.548341700000000e-01 1.548341200000000e-01 7.740000000000000e-08 5.000000000143778e-08 PASS
k-point 36 - band 4 1.548341700000000e-01 1.548341200000000e-01 7.740000000000000e-08 5.000000000143778e-08 PASS
k-point 36 - band 5 2.493984100000000e-01 2.493984100000000e-01 1.250000000000000e-07 0.000000000000000e+00 PASS
k-point 36 - band 6 2.493984100000000e-01 2.493984100000000e-01 1.250000000000000e-07 0.000000000000000e+00 PASS
k-point 36 - band 7 2.493984100000000e-01 2.493984100000000e-01 1.250000000000000e-07 0.000000000000000e+00 PASS
k-point 36 - band 8 2.856850400000000e-01 2.856850400000000e-01 1.430000000000000e-07 0.000000000000000e+00 PASS
k-point 36 - band 9 4.402620700000000e-01 4.402620700000000e-01 2.200000000000000e-07 0.000000000000000e+00 PASS
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