Input 16-sodium_chain_cylinder.02-unocc.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Bands n=1,k=1 -3.620263000000000e+00 -3.620263000000000e+00 1.810000000000000e-05 0.000000000000000e+00 PASS
Bands n=1,k=2 -3.470335000000000e+00 -3.470335000000000e+00 1.740000000000000e-05 0.000000000000000e+00 PASS
Bands n=1,k=3 -3.022736000000000e+00 -3.022736000000000e+00 1.510000000000000e-05 0.000000000000000e+00 PASS
Bands n=1,k=4 -2.284383000000000e+00 -2.284383000000000e+00 1.140000000000000e-05 0.000000000000000e+00 PASS
Bands n=1,k=5 -1.340414000000000e+00 -1.340414000000000e+00 6.700000000000000e-06 0.000000000000000e+00 PASS
Bands n=2,k=1 -1.157752000000000e+00 -1.157752000000000e+00 5.790000000000000e-06 0.000000000000000e+00 PASS
Bands n=2,k=2 -1.014988000000000e+00 -1.014988000000000e+00 5.070000000000000e-06 0.000000000000000e+00 PASS
Bands n=2,k=3 -5.870670000000000e-01 -5.870670000000000e-01 2.940000000000000e-05 0.000000000000000e+00 PASS
Bands n=2,k=4 2.124700000000000e-02 2.124700000000000e-02 1.060000000000000e-05 0.000000000000000e+00 PASS
Bands n=2,k=5 -1.182111000000000e+00 -1.182111000000000e+00 5.910000000000000e-06 0.000000000000000e+00 PASS
Compare to other inputs