&CONTROL
  calculation = "relax",
  pseudo_dir  = "/usr/share/espresso/pseudo",
  outdir      = "./tmp",
/
&SYSTEM
  ibrav       = 6,
  celldm(1)   = 5.3033D0,
  celldm(3)   = 8.D0,
  nat         = 7,
  ntyp        = 1,
  ecutwfc     = 12.D0,
  occupations = "smearing",
  smearing    = "methfessel-paxton",
  degauss     = 0.05D0,
/
&ELECTRONS
  conv_thr    = 1.D-6,
  mixing_beta = 0.3D0,
/
&IONS
  bfgs_ndim         = 3,
/
ATOMIC_SPECIES
Al  1.0  Al.pz-vbc.UPF
ATOMIC_POSITIONS
Al   0.5000000      0.5000000     -2.121320
Al   0.0000000      0.0000000     -1.414213
Al   0.5000000      0.5000000     -0.707107
Al   0.0000000      0.0000000      0.000000
Al   0.5000000      0.5000000      0.707107
Al   0.0000000      0.0000000      1.414213
Al   0.5000000      0.5000000      2.121320
K_POINTS
 3
 0.125  0.125  0.0  1.0
 0.125  0.375  0.0  2.0
 0.375  0.375  0.0  1.0
