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

Commits > Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 > Run intel_omp_autotools: [intel2023a-serial]

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 -1.999186300000000e-01 -1.999186700000000e-01 1.000000000000000e-07 3.999999997894577e-08 PASS
k-point 1 - band 2 -1.047228700000000e-01 -1.047228900000000e-01 5.240000000000000e-08 2.000000000335067e-08 PASS
k-point 1 - band 3 1.104703600000000e-01 1.104703200000000e-01 5.520000000000000e-08 4.000000000670134e-08 PASS
k-point 1 - band 4 1.104703600000000e-01 1.104703200000000e-01 5.520000000000000e-08 4.000000000670134e-08 PASS
k-point 1 - band 5 2.130588100000000e-01 2.130587800000000e-01 1.070000000000000e-07 2.999999998420932e-08 PASS
k-point 1 - band 6 2.768619800000000e-01 2.768619100000000e-01 1.380000000000000e-07 7.000000001866624e-08 PASS
k-point 1 - band 7 2.768619800000000e-01 2.768619600000000e-01 1.380000000000000e-07 1.999999998947288e-08 PASS
k-point 1 - band 8 4.350702400000000e-01 4.350701700000000e-01 2.180000000000000e-07 7.000000001866624e-08 PASS
k-point 1 - band 9 5.443235600000000e-01 5.443235400000001e-01 2.720000000000000e-07 1.999999998947288e-08 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 -2.881596000000000e-01 -2.881596300000000e-01 1.440000000000000e-07 2.999999998420932e-08 PASS
k-point 36 - band 2 1.548343100000000e-01 1.548342700000000e-01 7.740000000000000e-08 4.000000000670134e-08 PASS
k-point 36 - band 3 1.548343100000000e-01 1.548342700000000e-01 7.740000000000000e-08 4.000000000670134e-08 PASS
k-point 36 - band 4 1.548343100000000e-01 1.548342700000000e-01 7.740000000000000e-08 4.000000000670134e-08 PASS
k-point 36 - band 5 2.493985000000000e-01 2.493984100000000e-01 1.250000000000000e-07 9.000000000813912e-08 PASS
k-point 36 - band 6 2.493985000000000e-01 2.493984100000000e-01 1.250000000000000e-07 9.000000000813912e-08 PASS
k-point 36 - band 7 2.493985000000000e-01 2.493984100000000e-01 1.250000000000000e-07 9.000000000813912e-08 PASS
k-point 36 - band 8 2.856867200000000e-01 2.856866900000000e-01 1.430000000000000e-07 2.999999998420932e-08 PASS
k-point 36 - band 9 4.402619700000000e-01 4.402620700000000e-01 2.200000000000000e-07 -1.000000000028756e-07 PASS
Compare to other inputs