Input 15-bandstructure.03-wannier90_setup.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Unit cell rlattice 1,1 0.000000000000000e+00 0.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
Unit cell rlattice 2,1 2.698803760000000e+00 2.698803760000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
Unit cell rlattice 3,1 2.698803760000000e+00 2.698803760000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
Atom 1 coord. 1 0.000000000000000e+00 0.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
Atom 2 coord. 1 2.500000000000000e-01 2.500000000000000e-01 1.970000000000000e-07 0.000000000000000e+00 PASS
num_bands 4.000000000000000e+00 4.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
num_wann 4.000000000000000e+00 4.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
mp_grid 1 4.000000000000000e+00 4.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
mp_grid 2 4.000000000000000e+00 4.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
mp_grid 3 4.000000000000000e+00 4.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
k-point 1 (x) 0.000000000000000e+00 0.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
k-point 1 (y) 0.000000000000000e+00 0.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
k-point 1 (z) 0.000000000000000e+00 0.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
k-point 10 (x) -2.500000000000000e-01 -2.500000000000000e-01 1.970000000000000e-07 0.000000000000000e+00 PASS
k-point 10 (y) 2.500000000000000e-01 2.500000000000000e-01 1.970000000000000e-07 0.000000000000000e+00 PASS
k-point 10 (z) 0.000000000000000e+00 0.000000000000000e+00 1.970000000000000e-07 0.000000000000000e+00 PASS
k-point 20 (x) -2.500000000000000e-01 -2.500000000000000e-01 1.970000000000000e-07 0.000000000000000e+00 PASS
k-point 20 (y) -2.500000000000000e-01 -2.500000000000000e-01 1.970000000000000e-07 0.000000000000000e+00 PASS
k-point 20 (z) -2.500000000000000e-01 -2.500000000000000e-01 1.970000000000000e-07 0.000000000000000e+00 PASS
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