mirror of https://gitlab.com/QEF/q-e.git
55 lines
1.3 KiB
Plaintext
55 lines
1.3 KiB
Plaintext
--
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&inputepw
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prefix = 'sic'
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outdir = './'
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dvscf_dir = './save'
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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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vme = 'wannier'
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lpolar = .true.
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use_ws = .true.
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wannierize = .true.
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nbndsub = 4
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dis_win_max = 12
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dis_froz_max= 9.6
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proj(1) = 'f= 0.000, 0.000, 0.000, : 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 0.000 0.000 0.000 X 0.500 0.000 0.500'
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wdata(4) = 'X 0.500 0.000 0.500 W 0.500 0.250 0.750'
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wdata(5) = 'W 0.500 0.250 0.750 L 0.500 0.500 0.500'
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wdata(6) = 'L 0.500 0.500 0.500 K 0.375 0.375 0.750'
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wdata(7) = 'K 0.375 0.375 0.750 G 0.000 0.000 0.000'
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wdata(8) = 'G 0.000 0.000 0.000 L 0.500 0.500 0.500'
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wdata(9) = 'end kpoint_path'
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wdata(10) = 'bands_plot_format = gnuplot'
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wdata(11) = 'guiding_centres = .true.'
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wdata(12) = 'dis_num_iter = 500'
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wdata(13) = 'num_print_cycles = 50'
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elecselfen = .false.
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phonselfen = .false.
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a2f = .false.
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prtgkk = .true.
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fsthick = 7.0
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temps = 20
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degaussw = 0.05
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filqf = 'pathq.dat'
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filkf = 'path.dat'
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nk1 = 3
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nk2 = 3
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nk3 = 3
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nq1 = 3
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nq2 = 3
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nq3 = 3
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/
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