mirror of https://gitlab.com/QEF/q-e.git
86 lines
1.7 KiB
Plaintext
86 lines
1.7 KiB
Plaintext
--
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&inputepw
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prefix = 'mos2'
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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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mp_mesh_k = .true.
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lpolar = .true.
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vme = 'dipole'
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use_ws = .false.
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lifc = .false.
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nbndsub = 10
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bands_skipped = 'exclude_bands = 1-24'
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system_2d = 'dipole_sp'
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scattering = .true.
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scattering_serta = .true.
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int_mob = .false.
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carrier = .true.
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ncarrier = -1E10
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iterative_bte = .true.
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epmatkqread = .false.
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mob_maxiter = 10
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broyden_beta= 1.0
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bfieldx = 0.0d0
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bfieldy = 0.0d0
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bfieldz = 1.0d-10
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nstemp = 1
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temps = 300
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restart = .true.
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selecqread = .false.
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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 = -0.8
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dis_win_min = -6.8
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dis_froz_max= -3.6
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proj(1) = 'Mo:d'
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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 M 0.50 0.00 0.00'
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wdata(4) = 'M 0.50 0.00 0.00 K 0.333333333333 0.333333333333 0.00'
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wdata(5) = 'K 0.333333333333 0.333333333333 0.00 G 0.0 0.0 0.00'
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wdata(6) = 'end kpoint_path'
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wdata(7) = 'bands_plot_format = gnuplot'
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wdata(8) = 'dis_num_iter = 5000'
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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) = 'conv_tol = 1E-12'
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wdata(12) = 'conv_window = 4'
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degaussw = 0.01
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dvscf_dir = './save'
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fsthick = 0.30
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efermi_read = .true
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fermi_energy = -5.78
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nkf1 = 30
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nkf2 = 30
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nkf3 = 1
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nqf1 = 30
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nqf2 = 30
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nqf3 = 1
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nk1 = 4
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nk2 = 4
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nk3 = 1
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nq1 = 2
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nq2 = 2
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nq3 = 1
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/
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