wannier90
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Allow for `1D` inputs
Are there some complications why minimizing the spread for 1D or other dimensions is not implemented?
For now I am trying to fake the 1d system, but I am not sure if it's the appropriate way:
begin unit_cell_cart
Ang
1.0 0.0 0.0
0.0 100.0 0.0
0.0 0.0 100.0
end unit_cell_cart
use_bloch_phases = .true.
num_bands 4
num_wann 4
write_u_matrices = .true.
write_xyz = .true.
mp_grid 10 1 1
begin kpoints
0.0 0.0 0.0
-0.1 0.0 0.0
0.1 0.0 0.0
-0.2 0.0 0.0
0.2 0.0 0.0
-0.3 0.0 0.0
0.3 0.0 0.0
-0.4 0.0 0.0
0.4 0.0 0.0
-0.5 0.0 0.0
end kpoints
One thing that concerns me is that nnkp
contains:
1 1 0 1 0
1 1 0 0 1
1 1 0 0 -1
1 1 0 -1 0