Input 01-nio.02-unocc.inp

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
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
Red. coord. k1 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 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 7.810000000000000e-05 1.734723475976807e-18 PASS
Band structure E1(k1) -2.586286700000000e+00 -2.586286490000000e+00 2.100000000000000e-05 -2.100000000559987e-07 PASS
Band structure E2(k1) -2.581305340000000e+00 -2.581305125000000e+00 2.100000000000000e-05 -2.150000000256114e-07 PASS
Band structure E3(k1) -2.580170520000000e+00 -2.580170260000000e+00 8.199999999999999e-06 -2.599999997521252e-07 PASS
Band structure E1(k1) -2.586286700000000e+00 -2.586286490000000e+00 2.100000000000000e-05 -2.100000000559987e-07 PASS
Band structure E2(k1) -2.581305340000000e+00 -2.581305125000000e+00 2.100000000000000e-05 -2.150000000256114e-07 PASS
Compare to other inputs