&CONTROL
 calculation = 'bands'
 prefix = 'si'
 pseudo_dir = '<赝势库路径>'
 outdir = './tmp'
 tprnfor = .true.
 verbosity = 'high'
/
&SYSTEM
 ibrav = 2
 celldm(1) = 10.2
 nosym = .true.
 noinv = .true.
 nat = 2
 ntyp = 1
 ecutwfc = 40
 ecutrho = 320
 nbnd = 4
 occupations = 'fixed'
/
&ELECTRONS
 conv_thr = 1.0d-12
 diagonalization = 'cg'
 diago_thr_init = 1.0d-10
 diago_full_acc = .true.
 diago_cg_maxiter = 200
/
ATOMIC_SPECIES
Si 28.0855 Si.pbe-n-van.UPF
ATOMIC_POSITIONS crystal
Si -0.25 0.75 -0.25
Si 0.00 0.00 0.00
K_POINTS crystal
13
0.00000000000000 0.00000000000000 0.00000000000000 1.0
0.08125000000000 0.00000000000000 0.08125000000000 1.0
0.19375000000000 0.00000000000000 0.19375000000000 1.0
0.35625000000000 0.00000000000000 0.35625000000000 1.0
0.50000000000000 0.00000000000000 0.50000000000000 1.0
0.50000000000000 0.09375000000000 0.59375000000000 1.0
0.50000000000000 0.25000000000000 0.75000000000000 1.0
0.50000000000000 0.33333333333333 0.66666666666667 1.0
0.50000000000000 0.42543859649123 0.57456140350877 1.0
0.50000000000000 0.50000000000000 0.50000000000000 1.0
0.36231884057971 0.36231884057971 0.36231884057971 1.0
0.19565217391304 0.19565217391304 0.19565217391304 1.0
0.00000000000000 0.00000000000000 0.00000000000000 1.0