&CONTROL
  calculation = "relax",
  pseudo_dir  = "../pseudos",
  prefix      = "test",
  outdir      = "tempdir",
  disk_io     = "none",
  verbosity   = "low"
/
&SYSTEM
  ibrav       = 0,
  A           = 1.D0,
  nat         = 12,
  ntyp        = 2,
  ecutwfc     = 50.D0,
  ecutrho     = 200.D0,
  occupations = "smearing",
  smearing    = "methfessel-paxton",
  degauss     = 0.02D0,
/
&ELECTRONS
  conv_thr    = 1.D-7,
  mixing_beta = 0.05D0,
  mixing_ndim = 4,
  electron_maxstep = 500,
  diagonalization = 'david'
/
&IONS
/
CELL_PARAMETERS (alat)
10.000000  0.0000000  0.0000000
0.0000000  10.000000  0.0000000
0.0000000  0.0000000  10.000000
ATOMIC_SPECIES
C   12.0107  C.pbe-mt_fhi.UPF
H   1.00794  H.pbe-mt_fhi.UPF
K_POINTS gamma
ATOMIC_POSITIONS (alat)
C        1.995000000  -2.303600000   0.000000000    0   0   0
C        2.650235827  -1.070073471   0.000000000    1   1   0
C        1.947716530   0.141308520   0.000000000    1   1   0
C        0.559700781   0.179975313   0.000000000    1   1   0
C       -0.099808771  -1.041983388   0.000000000    1   1   0
C        0.598954110  -2.255615821   0.000000000    1   1   0
H        2.536263682  -3.240639772   0.000000000    1   1   0
H        3.699044443  -1.063360228   0.000000000    1   1   0
H        2.465841087   1.069062622   0.000000000    1   1   0
H        0.010589378   1.130609268   0.000000000    1   1   0
H       -1.162746248  -1.027081354   0.000000000    1   1   0
H        0.069608402  -3.159894769   0.000000000    1   1   0
