mirror of https://gitlab.com/QEF/q-e.git
73 lines
1.5 KiB
Plaintext
73 lines
1.5 KiB
Plaintext
--
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&inputepw
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prefix = 'si'
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amass(1) = 28.0855
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outdir = './'
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elph = .true.
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kmaps = .false.
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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 = 8
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nbndskip = 0
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wannierize = .true.
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num_iter = 300
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dis_win_max = 8
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dis_froz_max= 5.5
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proj(1) = 'Si : 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) = 'L 0.50 0.00 0.00 G 0.00 0.00 0.00'
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wdata(4) = 'G 0.00 0.00 0.00 X 0.50 0.50 0.00'
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wdata(5) = 'end kpoint_path'
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wdata(6) = 'bands_plot_format = gnuplot'
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wdata(7) = 'guiding_centres = .true.'
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wdata(8) = 'dis_num_iter = 300'
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wdata(9) = 'num_print_cycles = 10'
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wdata(10) = 'dis_mix_ratio = 1.0'
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wdata(11) = 'use_ws_distance = T'
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nel = 0.01
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epsiHEG = 12.0
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meff = 0.25
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plselfen = .true.
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elecselfen = .false.
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phonselfen = .false.
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a2f = .false.
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band_plot = .true.
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fsthick = 3.0
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eptemp = 20.0
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degaussw = 0.01
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specfun_pl = .true.
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wmax_specfun = 8.0
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wmin_specfun = 6.0
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nw_specfun = 20
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efermi_read = .true.
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fermi_energy= 6.65
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dvscf_dir = './save'
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filkf = './LGX.txt'
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filqf = './qgrid.txt'
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nk1 = 4
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nk2 = 4
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nk3 = 4
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nq1 = 1
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nq2 = 1
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nq3 = 1
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/
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1 cartesian
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0.000000000 0.000000000 0.000000000
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