File size: 598 Bytes
db31a41 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 | begin projections
f=0,0,0:sp3
end projections
num_wann = 4
iprint = 2
num_iter = 50000
write_bvec = .true.
bands_plot = .true.
begin kpoint_path
G 0.00000 0.00000 0.00000 X 0.50000 0.00000 0.50000
X 0.50000 0.00000 0.50000 U 0.62500 0.25000 0.62500
U 0.62500 0.25000 0.62500 K 0.37500 0.37500 0.75000
K 0.37500 0.37500 0.75000 G 0.00000 0.00000 0.00000
G 0.00000 0.00000 0.00000 L 0.50000 0.50000 0.50000
end kpoint_path
bands_plot_format = gnuplot
dis_num_iter = 5000
num_print_cycles = 10
conv_tol = 1E-12
conv_window = 4
write_hr = .true.
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