cat > si-smc-${prefix} << EOF
   &CONTROL
      calculation = 'md',
      nstep=10,
      dt=1
   /
   &SYSTEM
      ibrav=8,
      celldm(1)=6
      celldm(2)=1
      celldm(3)=1.5
      nat=2
      ntyp=1,
      nbnd=20,
      ecutwfc=25.0,
      ecutrho=200.0,
      nosym=.true.
   /
   &ELECTRONS
      electron_maxstep = 50,
      mixing_mode = 'plain',
      mixing_beta = 0.3,
      conv_thr =  1.0d-8,
   /
   &IONS
      ion_dynamics='bfgs',
      upscale=100,
      ion_dynamics='langevin-smc'
      tempw=300.D0
   /
ATOMIC_SPECIES
 H   1.001   H.pbe-rrkjus.UPF
ATOMIC_POSITIONS (angstrom)
H        1.500000000   1.500000000   2.898689449    0   0   1
H        1.500000000   1.500000000   2.101310551    0   0   1
K_POINTS (gamma)
