&CONTROL
  calculation = 'scf'
  etot_conv_thr =   1.2800000000d-03
  forc_conv_thr =   1.0000000000d-04
  outdir = './out/'
  prefix = 'slab'
  pseudo_dir = './pseudo/'
  tprnfor = .true.
  tstress = .true.
  verbosity = 'high'
/
&SYSTEM
  ecutrho =   1.0800000000d+03
  ecutwfc =   9.0000000000d+01
  ibrav = 0
  nat = 128
  ntyp = 3
  occupations = 'fixed'
  nspin = 2 
  tot_magnetization = 0
/
&ELECTRONS
  conv_thr =   2.5600000000d-08
  electron_maxstep = 80
  mixing_beta =   0.1
  mixing_mode = 'local-TF'
/
ATOMIC_SPECIES
Fe     55.847 Fe.pbe-spn-kjpaw_psl.0.2.1.UPF
H      1.00794 H.pbe-rrkjus_psl.1.0.0.UPF
O      15.9994 O.pbe-n-kjpaw_psl.0.1.UPF
ATOMIC_POSITIONS crystal
Fe           0.1875000000       0.1571709216       0.3553490043 
Fe           0.1875000000       0.3238375783       0.3553490043 
Fe           0.4375000000       0.1571709216       0.3553490043 
Fe           0.4375000000       0.3238375783       0.3553490043 
Fe           0.6875000000       0.1571709216       0.3553490043 
Fe           0.6875000000       0.3238375783       0.3553490043 
Fe           0.9375000000       0.1571709216       0.3553490043 
Fe           0.9375000000       0.3238375783       0.3553490043 
Fe           0.1875000000       0.0928290784       0.8553490043 
Fe           0.1875000000       0.2594957352       0.8553490043 
Fe           0.4375000000       0.0928290784       0.8553490043 
Fe           0.4375000000       0.2594957352       0.8553490043 
Fe           0.6875000000       0.0928290784       0.8553490043 
Fe           0.6875000000       0.2594957352       0.8553490043 
Fe           0.9375000000       0.0928290784       0.8553490043 
Fe           0.9375000000       0.2594957352       0.8553490043 
Fe           0.0625000000       0.0094957501       0.6446509957 
Fe           0.0625000000       0.1761624217       0.6446509957 
Fe           0.3125000000       0.0094957501       0.6446509957 
Fe           0.3125000000       0.1761624217       0.6446509957 
Fe           0.5625000000       0.0094957501       0.6446509957 
Fe           0.5625000000       0.1761624217       0.6446509957 
Fe           0.8125000000       0.0094957501       0.6446509957 
Fe           0.8125000000       0.1761624217       0.6446509957 
Fe           0.0625000000       0.0738375858       0.1446509958 
Fe           0.0625000000       0.2405042499       0.1446509958 
Fe           0.3125000000       0.0738375858       0.1446509958 
Fe           0.3125000000       0.2405042499       0.1446509958 
Fe           0.5625000000       0.0738375858       0.1446509958 
Fe           0.5625000000       0.2405042499       0.1446509958 
Fe           0.8125000000       0.0738375858       0.1446509958 
Fe           0.8125000000       0.2405042499       0.1446509958 
H            0.0625000000       0.0660364181       0.4090589881 
H            0.0625000000       0.2327030897       0.4090589881 
H            0.3125000000       0.0660364181       0.4090589881 
H            0.3125000000       0.2327030897       0.4090589881 
H            0.5625000000       0.0660364181       0.4090589881 
H            0.5625000000       0.2327030897       0.4090589881 
H            0.8125000000       0.0660364181       0.4090589881 
H            0.8125000000       0.2327030897       0.4090589881 
H            0.0625000000       0.0172969159       0.9090589881 
H            0.0625000000       0.1839635819       0.9090589881 
H            0.3125000000       0.0172969159       0.9090589881 
H            0.3125000000       0.1839635819       0.9090589881 
H            0.5625000000       0.0172969159       0.9090589881 
H            0.5625000000       0.1839635819       0.9090589881 
H            0.8125000000       0.0172969159       0.9090589881 
H            0.8125000000       0.1839635819       0.9090589881 
H            0.1875000000       0.1006302535       0.5909410119 
H            0.1875000000       0.2672969103       0.5909410119 
H            0.4375000000       0.1006302535       0.5909410119 
H            0.4375000000       0.2672969103       0.5909410119 
H            0.6875000000       0.1006302535       0.5909410119 
H            0.6875000000       0.2672969103       0.5909410119 
H            0.9375000000       0.1006302535       0.5909410119 
H            0.9375000000       0.2672969103       0.5909410119 
H            0.1875000000       0.1493697464       0.0909409970 
H            0.1875000000       0.3160364032       0.0909409970 
H            0.4375000000       0.1493697464       0.0909409970 
H            0.4375000000       0.3160364032       0.0909409970 
H            0.6875000000       0.1493697464       0.0909409970 
H            0.6875000000       0.3160364032       0.0909409970 
H            0.9375000000       0.1493697464       0.0909409970 
H            0.9375000000       0.3160364032       0.0909409970 
O            0.0625000000       0.1150454208       0.3042890132 
O            0.0625000000       0.2817120850       0.3042890132 
O            0.3125000000       0.1150454208       0.3042890132 
O            0.3125000000       0.2817120850       0.3042890132 
O            0.5625000000       0.1150454208       0.3042890132 
O            0.5625000000       0.2817120850       0.3042890132 
O            0.8125000000       0.1150454208       0.3042890132 
O            0.8125000000       0.2817120850       0.3042890132 
O            0.0625000000       0.1349545866       0.8042889833 
O            0.0625000000       0.3016212582       0.8042889833 
O            0.3125000000       0.1349545866       0.8042889833 
O            0.3125000000       0.3016212582       0.8042889833 
O            0.5625000000       0.1349545866       0.8042889833 
O            0.5625000000       0.3016212582       0.8042889833 
O            0.8125000000       0.1349545866       0.8042889833 
O            0.8125000000       0.3016212582       0.8042889833 
O            0.1875000000       0.0516212471       0.6957110167 
O            0.1875000000       0.2182879150       0.6957110167 
O            0.4375000000       0.0516212471       0.6957110167 
O            0.4375000000       0.2182879150       0.6957110167 
O            0.6875000000       0.0516212471       0.6957110167 
O            0.6875000000       0.2182879150       0.6957110167 
O            0.9375000000       0.0516212471       0.6957110167 
O            0.9375000000       0.2182879150       0.6957110167 
O            0.1875000000       0.0317120813       0.1957110018 
O            0.1875000000       0.1983787418       0.1957110018 
O            0.4375000000       0.0317120813       0.1957110018 
O            0.4375000000       0.1983787418       0.1957110018 
O            0.6875000000       0.0317120813       0.1957110018 
O            0.6875000000       0.1983787418       0.1957110018 
O            0.9375000000       0.0317120813       0.1957110018 
O            0.9375000000       0.1983787418       0.1957110018 
O            0.0625000000       0.0322137512       0.4432959855 
O            0.0625000000       0.1988804191       0.4432959855 
O            0.3125000000       0.0322137512       0.4432959855 
O            0.3125000000       0.1988804191       0.4432959855 
O            0.5625000000       0.0322137512       0.4432959855 
O            0.5625000000       0.1988804191       0.4432959855 
O            0.8125000000       0.0322137512       0.4432959855 
O            0.8125000000       0.1988804191       0.4432959855 
O            0.0625000000       0.0511195809       0.9432960153 
O            0.0625000000       0.2177862525       0.9432960153 
O            0.3125000000       0.0511195809       0.9432960153 
O            0.3125000000       0.2177862525       0.9432960153 
O            0.5625000000       0.0511195809       0.9432960153 
O            0.5625000000       0.2177862525       0.9432960153 
O            0.8125000000       0.0511195809       0.9432960153 
O            0.8125000000       0.2177862525       0.9432960153 
O            0.1875000000       0.1344529241       0.5567039847 
O            0.1875000000       0.3011195958       0.5567039847 
O            0.4375000000       0.1344529241       0.5567039847 
O            0.4375000000       0.3011195958       0.5567039847 
O            0.6875000000       0.1344529241       0.5567039847 
O            0.6875000000       0.3011195958       0.5567039847 
O            0.9375000000       0.1344529241       0.5567039847 
O            0.9375000000       0.3011195958       0.5567039847 
O            0.1875000000       0.1155470833       0.0567039996 
O            0.1875000000       0.2822137475       0.0567039996 
O            0.4375000000       0.1155470833       0.0567039996 
O            0.4375000000       0.2822137475       0.0567039996 
O            0.6875000000       0.1155470833       0.0567039996 
O            0.6875000000       0.2822137475       0.0567039996 
O            0.9375000000       0.1155470833       0.0567039996 
O            0.9375000000       0.2822137475       0.0567039996 

K_POINTS  gamma

!K_POINTS automatic
!3 2 4 0 0 0
CELL_PARAMETERS angstrom
     12.2244758606       0.0000000000       0.0000000000
      0.0000000000      27.8517665863       0.0000000000
      0.0000000000       0.0000000000      10.0555229187
