&CONTROL
  calculation  = 'relax'
  prefix       = "NH4+",
  pseudo_dir   = "/home/degironc/QE/espresso/pseudo",
  outdir       = "/home/degironc/tmp",
/
&SYSTEM
  ibrav     = 1,
  celldm(1) = 24.0
  nat       = 5,
  ntyp      = 2,
  ecutwfc   = 30.D0,
  ecutrho   = 120.D0,
  do_ee     = .true.
  nelec     = 8.0
  nbnd      = 8
/
&ELECTRONS
  conv_thr    = 1.D-7,
  mixing_beta = 0.7D0,
/
&IONS
/
&EE 
  which_compensation='martyna-tuckerman'
/
ATOMIC_SPECIES
N  1.00  N.pbe-paw_kj.UPF
H  1.00  H.pbe-paw_kj.UPF
ATOMIC_POSITIONS {bohr}
N  0.0  0.0  0.0  0 0 0
H  1.0  1.0  1.0
H -1.0 -1.0  1.0
H -1.0  1.0 -1.0
H  1.0 -1.0 -1.0
K_POINTS Gamma
