&CONTROL
  calculation  = "scf",
  prefix       = "CO2",
  pseudo_dir   = "/home/pietro/espresso-svn/pseudo",
  outdir       = "/home/pietro/espresso-svn/tempdir",
/
&SYSTEM
  ibrav     = 1,
  celldm(1) =14.0,
  nat       = 3,
  ntyp      = 2,
  ecutwfc   = 80.D0, !better 120
/
&ELECTRONS
  conv_thr    = 1.D-8,
  mixing_beta = 0.7,
/
&IONS
/
ATOMIC_SPECIES
  C 12.010  C.pbe-hgh.UPF
  O 15.999  O.pbe-hgh.UPF
ATOMIC_POSITIONS (angstrom)
C        3.000042068   3.000042068   3.544613556
O        3.835408973   3.835408973   3.543705292
O        2.164548959   2.164548959   3.543681153
K_POINTS (automatic)
1 1 1 0 0 0
