mirror of https://github.com/abinit/abinit.git
31 lines
553 B
Plaintext
31 lines
553 B
Plaintext
num_wann = 1
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num_bands = 38
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begin projections
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Cu:dx2-y2
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end projections
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write_hr = true
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guiding_centres = true
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postproc_setup = true
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exclude_bands = 1-28, 34-38
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dis_win_min = 4
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dis_win_max = 8.5
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dis_froz_min = 6
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dis_froz_max = 8.5
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dis_num_iter = 1000
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dis_conv_tol = 1e-11
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num_iter = 1000
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conv_tol = 1e-11
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bands_plot = true
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begin kpoint_path
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G 0.00 0.00 0.00 N 0.25 0.25 -0.25
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N 0.25 0.25 -0.25 X 0.50 0.00 0.00
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X 0.50 0.00 0.00 G 0.00 0.00 0.00
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G 0.00 0.00 0.00 M -0.25 0.25 0.25
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end kpoint_path
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bands_num_points = 20
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