Input 01-nio.02-unocc.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run intel_omp_autotools: [intel2023a-serial]

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) -2.586286420000000e+00 -2.586286490000000e+00 2.100000000000000e-05 7.000000001866624e-08 PASS
Band structure E2(k1) -2.581305050000000e+00 -2.581305125000000e+00 2.100000000000000e-05 7.499999998827889e-08 PASS
Band structure E3(k1) -2.580170350000000e+00 -2.580170260000000e+00 8.199999999999999e-06 -8.999999989711682e-08 PASS
Band structure E1(k1) -2.586286420000000e+00 -2.586286490000000e+00 2.100000000000000e-05 7.000000001866624e-08 PASS
Band structure E2(k1) -2.581305050000000e+00 -2.581305125000000e+00 2.100000000000000e-05 7.499999998827889e-08 PASS
Compare to other inputs