&CONTROL
 calculation = 'md'
 nstep = 100
 dt = 20
 iprint = 1
 prefix = 'al'
 pseudo_dir = '<赝势库路径>'
 outdir = './tmp'
 tstress = .true.
 tprnfor = .true.
 verbosity = 'low'
/
&SYSTEM
 ibrav = 0
 nosym = .true.
 nat = 8
 ntyp = 1
 ecutwfc = 40
 ecutrho = 160
 occupations = 'smearing'
 smearing = 'mv'
 degauss = 0.02
 nbnd = 18
/
&ELECTRONS
 diagonalization = 'cg'
 diago_thr_init = 1.0d-9
 diago_full_acc = .true.
 diago_cg_maxiter = 200
 conv_thr = 1.0d-10
/
&IONS
 ion_dynamics = 'verlet'
 ion_velocities = 'from_input'
 ion_temperature = 'svr'
 tempw = 300
 nraise = 20
/
ATOMIC_SPECIES
Al 26.9815385 Al.pz-vbc.UPF
ATOMIC_POSITIONS crystal
Al 0.00000000000000 0.00000000000000 0.00000000000000
Al 0.50000000000000 0.00000000000000 0.00000000000000
Al 0.00000000000000 0.50000000000000 0.00000000000000
Al 0.50000000000000 0.50000000000000 0.00000000000000
Al 0.00000000000000 0.00000000000000 0.50000000000000
Al 0.50000000000000 0.00000000000000 0.50000000000000
Al 0.00000000000000 0.50000000000000 0.50000000000000
Al 0.50000000000000 0.50000000000000 0.50000000000000
CELL_PARAMETERS angstrom
-3.95606780081072 0.00000000000000 3.95606780081072
0.00000000000000 3.95606780081072 3.95606780081072
-3.95606780081072 3.95606780081072 0.00000000000000
K_POINTS automatic
4 4 4 0 0 0
ATOMIC_VELOCITIES
Al -2.96685438852231e-04 5.46443872130152e-04 3.52588534897630e-04
Al 1.83169591108944e-04 -2.23845342698565e-05 3.04783826563648e-04
Al -3.62394243793356e-04 -5.62805162705629e-04 -3.77915518336268e-04
Al 5.62907234083758e-05 9.24073788215892e-05 -1.03170084336693e-04
Al 3.21602394621728e-04 1.76949229988034e-04 3.06925804418459e-05
Al 2.89759188061222e-04 3.51480144555030e-05 -1.67953236314361e-04
Al -1.50927363418241e-04 -2.43518115575532e-04 1.17081675570922e-04
Al -4.08148511364416e-05 -2.22406828442608e-05 -1.56107778486724e-04