&CONTROL
 calculation = 'scf'
 prefix = 'si'
 pseudo_dir = '<赝势库路径>'
 outdir = './tmp'
 tprnfor = .true.
 verbosity = 'high'
/
&SYSTEM
 ibrav = 2
 celldm(1) = 10.2
 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 automatic
10 10 10 0 0 0