num_bands = 20
num_wann = 10
dis_win_max = 19.2d0
dis_froz_max = 9.8d0
dis_num_iter = 300
num_iter = 200
num_print_cycles = 10
guiding_centres = true
bands_plot = true
begin kpoint_path
G 0.0000000000 0.0000000000 0.0000000000 M 0.5000000000 -0.5000000000 0.0000000000
M 0.5000000000 -0.5000000000 0.0000000000 K 0.6666666667 -0.3333333333 0.0000000000
K 0.6666666667 -0.3333333333 0.0000000000 G 0.0000000000 0.0000000000 0.0000000000
G 0.0000000000 0.0000000000 0.0000000000 A 0.0000000000 0.0000000000 0.5000000000
end kpoint_path
Begin Atoms_Frac
C2 0.0000000000 0.0000000000 0.2500000000
C1 0.0000000000 0.0000000000 0.7500000000
C1 0.3333333333 0.6666666667 0.2500000000
C2 -0.3333333333 -0.6666666667 0.7500000000
End Atoms_Frac
Begin Projections
C1:sp2;pz
C2:pz
End Projections
Begin Unit_Cell_Cart
2.1304215583 -1.2299994602 0.0000000000
0.0000000000 2.4599989204 0.0000000000
0.0000000000 0.0000000000 6.8000000000
End Unit_Cell_Cart
mp_grid = 4 4 4
begin kpoints
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0.00000000 0.00000000 0.25000000
0.00000000 0.00000000 0.50000000
0.00000000 0.00000000 0.75000000
0.00000000 0.25000000 0.00000000
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0.00000000 0.25000000 0.50000000
0.00000000 0.25000000 0.75000000
0.00000000 0.50000000 0.00000000
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0.75000000 0.25000000 0.00000000
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0.75000000 0.50000000 0.00000000
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0.75000000 0.75000000 0.00000000
0.75000000 0.75000000 0.25000000
0.75000000 0.75000000 0.50000000
0.75000000 0.75000000 0.75000000
End Kpoints
