mirror of https://gitlab.com/QEF/q-e.git
57 lines
1.2 KiB
Plaintext
57 lines
1.2 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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epbwrite = .true.
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epbread = .false.
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epwwrite = .true.
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epwread = .false.
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etf_mem = 1
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nbndsub = 8
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asr_typ = 'crystal'
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use_ws = .true.
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wannierize = .true.
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num_iter = 5000
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iprint = 2
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dis_win_max = 24
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dis_froz_max= 9
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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) = 'use_ws_distance = T'
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wdata(8) = 'dis_num_iter = 5000'
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wdata(9) = 'num_print_cycles = 100'
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wdata(10) = 'dis_mix_ratio = 1.0'
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!wdata(8) = 'exclude_bands=13-16'
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elecselfen = .false.
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phonselfen = .false.
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a2f = .false.
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fsthick = 1.2 ! eV
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temps = 1 ! K
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degaussw = 0.005 ! eV
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dvscf_dir = './save'
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band_plot = .true.
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filkf = './LGX.txt'
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filqf = './LGX.txt'
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nk1 = 4
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nk2 = 4
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nk3 = 4
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nq1 = 2
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nq2 = 2
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nq3 = 2
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/
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