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1D
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:
nnkp
1 1 0 1 0 1 1 0 0 1 1 1 0 0 -1 1 1 0 -1 0
The text was updated successfully, but these errors were encountered:
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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:
One thing that concerns me is that
nnkp
contains:The text was updated successfully, but these errors were encountered: