&CONTROL
  calculation  = "relax",
  restart_mode = "from_scratch",
  prefix       = "test",
  pseudo_dir   = "/data/antwerpen/204/vsc20442/pseudo/pslibrary.1.0.0/wc/PSEUDOPOTENTIALS",
  outdir       = "/data/antwerpen/204/vsc20442/TMP",
  wf_collect = .true.
  verbosity='high'
  nstep = 100

/
&SYSTEM
  ibrav     = 0,
  nat       = 7,
  ntyp      = 2,
  ecutwfc   = 60,
  ecutrho   = 600,
  tot_charge = -1
  spline_ps = .true.
  occupations = 'smearing'
  smearing = 'gaussian'
  degauss = 0.01
/
&ELECTRONS
  electron_maxstep = 750
  conv_thr    = 1.D-8,
  diago_thr_init = 1e-4
  mixing_mode = 'local-TF'
  mixing_beta = 0.10,
/
&IONS
 ion_dynamics = 'bfgs'
 ion_positions = 'default'
/
CELL_PARAMETERS {bohr}
20.0  0.0  0.0
 0.0 20.0  0.0
 0.0  0.0 20.0
ATOMIC_SPECIES
H  1.0079  H.wc-kjpaw_psl.1.0.0.UPF
C  12.0107 C.wc-n-kjpaw_psl.1.0.0.UPF
ATOMIC_POSITIONS {angstrom}
C  -0.0213930  -0.0427728   0.0002253
H   0.0313362   0.0553059   1.0639646
H   0.8989264  -0.4468014  -0.3672035
H  -0.8267851  -0.6981517  -0.2585316
C  -0.2626932   1.3408221  -0.6319211
H   0.1135877   1.5552039  -1.6103653
H  -0.8066307   2.0877692  -0.0923832
K_POINTS {Gamma}
