-- &inputepw prefix = 'si' amass(1) = 28.0855 outdir = './' dvscf_dir = './save/' asr_typ = 'crystal' ! same as zasr='crystal' in q2r.in in phonons calculation. lifc = .true. ! uses real-space inter-atomic force constant generated by q2r.x. iverbosity = 0 elph = .true. ! If .true. calculate e-ph coefficients. scissor = 0.23 epbwrite = .true. epbread = .false. epwwrite = .true. epwread = .false. etf_mem = 1 vme = .true. use_ws = .false. ! lpolar = .true. ! If .true. use correct Wannier interpolation in polar material. ! lphase = .true. ! fix the gauge for the interpolated dynamical matrix and electronic Hamiltonian nbndsub = 16 ! Number of wannier functions to utilize. ! nbndskip = 23 ! The number of bands lying below the disentanglement window wannierize = .true. ! Calculate Wannier function via W90 library num_iter = 1500 ! Number of iterations passed to Wannier90 for minimization. iprint = 2 dis_win_max = 18 dis_froz_max= 8.5 proj(1) = 'Si : sp3' wdata(1) = 'bands_plot = .true.' wdata(2) = 'begin kpoint_path' wdata(3) = 'L 0.50 0.00 0.00 G 0.00 0.00 0.00' wdata(4) = 'G 0.00 0.00 0.00 X 0.50 0.50 0.00' wdata(5) = 'end kpoint_path' wdata(6) = 'bands_plot_format = gnuplot' wdata(7) = 'guiding_centres = .true.' wdata(8) = 'dis_num_iter = 500' wdata(9) = 'num_print_cycles = 10' wdata(10) = 'dis_mix_ratio = 1.0' wdata(11) = 'conv_tol = 1E-9' wdata(12) = 'use_ws_distance = .true.' wdata(13) = 'conv_window = 4' elecselfen = .false. phonselfen = .false. a2f = .false. fsthick = 3.0 ! Width of Fermi surface window in self-energy delta functions in [eV]. temps = 1 ! Array of smearing occupations for the Fermi occupation in [K]. degaussw = 0.01 ! Smearing in the energy-conserving delta functions in [eV]. band_plot = .true. filkf = './LGX.txt' filqf = './LGX.txt' nk1 = 4 nk2 = 4 nk3 = 4 nq1 = 2 nq2 = 2 nq3 = 2 /