Input 01-nio.02-unocc.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run cmake_foss_2022a_full_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) -3.090994680000000e+00 -3.090994680000000e+00 2.000000000000000e-06 -4.440892098500626e-16 PASS
Band structure E2(k1) -3.083676780000000e+00 -3.083676780000000e+00 5.000000000000000e-06 0.000000000000000e+00 PASS
Band structure E3(k1) -3.077291610000000e+00 -3.077291730000000e+00 5.500000000000000e-07 1.200000001588819e-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