mirror of https://gitlab.com/QEF/q-e.git
67 lines
1.3 KiB
Plaintext
67 lines
1.3 KiB
Plaintext
--
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&inputepw
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prefix = 'pb',
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amass(1) = 207.2
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outdir = './'
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elph = .true.
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epbwrite = .true.
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epbread = .false.
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epwwrite = .true.
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epwread = .false.
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nbndsub = 4
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bands_skipped = 'exclude_bands = 1-5'
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wannierize = .true.
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num_iter = 300
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dis_win_max = 21
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dis_win_min = -3
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dis_froz_min= -3
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dis_froz_max= 13.5
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proj(1) = 'Pb:sp3'
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wdata(1) = 'bands_plot = .true.'
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wdata(2) = 'begin kpoint_path'
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wdata(3) = 'G 0.00 0.00 0.00 X 0.00 0.50 0.50'
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wdata(4) = 'X 0.00 0.50 0.50 W 0.25 0.50 0.75'
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wdata(5) = 'W 0.25 0.50 0.75 L 0.50 0.50 0.50'
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wdata(6) = 'L 0.50 0.50 0.50 K 0.375 0.375 0.75'
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wdata(7) = 'K 0.375 0.375 0.75 G 0.00 0.00 0.00'
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wdata(8) = 'G 0.00 0.00 0.00 L 0.50 0.50 0.50'
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wdata(9) = 'end kpoint_path'
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wdata(10) = 'bands_plot_format = gnuplot'
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iverbosity = 0
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elecselfen = .false.
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phonselfen = .true.
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fsthick = 6 ! eV
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temps = 0.075 ! K
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degaussw = 0.05 ! eV
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a2f = .true.
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dvscf_dir = '../phonons/save'
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nkf1 = 20
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nkf2 = 20
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nkf3 = 20
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nqf1 = 20
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nqf2 = 20
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nqf3 = 20
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nk1 = 6
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nk2 = 6
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nk3 = 6
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nq1 = 6
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nq2 = 6
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nq3 = 6
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/
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