File size: 1,191 Bytes
db31a41 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 | &inputepw
prefix = 'diamond'
amass(1) = 12.011
outdir = './tmp/'
dvscf_dir = './tmp/save/'
elph = .true.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
use_ws = .true.
nbndsub = 4
wannierize = .true.
num_iter = 50000
iprint = 2
proj(1) = 'f=0,0,0:sp3'
wdata(1) = 'bands_plot = .true.'
wdata(2) = 'begin kpoint_path'
wdata(3) = 'G 0.00000 0.00000 0.00000 X 0.50000 0.00000 0.50000'
wdata(4) = 'X 0.50000 0.00000 0.50000 U 0.62500 0.25000 0.62500'
wdata(5) = 'U 0.62500 0.25000 0.62500 K 0.37500 0.37500 0.75000'
wdata(6) = 'K 0.37500 0.37500 0.75000 G 0.00000 0.00000 0.00000'
wdata(7) = 'G 0.00000 0.00000 0.00000 L 0.50000 0.50000 0.50000'
wdata(8) = 'end kpoint_path'
wdata(9) = 'bands_plot_format = gnuplot'
wdata(10) = 'dis_num_iter = 5000'
wdata(11) = 'num_print_cycles = 10'
wdata(12) = 'conv_tol = 1E-12'
wdata(13) = 'conv_window = 4'
nkf1 = 1
nkf2 = 1
nkf3 = 1
nqf1 = 1
nqf2 = 1
nqf3 = 1
nk1 = 6
nk2 = 6
nk3 = 6
nq1 = 1
nq2 = 1
nq3 = 1
/
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