&CONTROL
  calculation = "relax",
  dt          = 30.D0,
  tstress     = TRUE,
  tprnfor     = TRUE,
  forc_conv_thr = 2.0D-4,
  pseudo_dir  = "/scratch/scratch95/k/kgudavis/PATH/quantumespresso/espresso-4.2.1/pseudo",
  outdir      = "/scratch/scratch95/k/kgudavis/PATH/quantumespresso/B19/tmp",
/
&SYSTEM
  ibrav       = 0,
  nat         = 4,
  ntyp        = 2,
  ecutwfc     = 36.D0,
  occupations = "smearing",
  smearing    = "methfessel-paxton",
  degauss     = 0.05D0,
  ecutrho     = 360.D0,
  nbnd = 30,
/
&ELECTRONS
  conv_thr    = 1.D-10,
  mixing_beta = 0.3D0,
/
&IONS
  bfgs_ndim = 3,
/
ATOMIC_SPECIES
Ti  47.9D0  Ti.pbe-sp-van_ak.UPF
Ni  58.7D0  Ni.pbe-nd-rrkjus.UPF
CELL_PARAMETERS
   5.2431860990 0.000000000 0.000000000
   0.0000000000 8.638099034 0.000000000
   0.0000000000 0.000000000 7.986513182
ATOMIC_POSITIONS { crystal }
Ti       0.000000000   0.030610371   0.000000000
Ni       0.500000000  -0.063237874   0.500000000
Ti       0.000000000   0.469389629   0.500000000
Ni       0.500000000   0.563237874   0.000000000
K_POINTS automatic
   14 10 10 0 0 0