&control
  calculation='relax',
  nstep=10,
  outdir = '/scratch/paolog/tempdir' ,
  etot_conv_thr=1.d-4,
  forc_conv_thr=1.d-3
/
&system
  ibrav = 0,
  nat=24,
  ntyp=5,
  occupations='smearing', smearing='m-v', degauss=0.011,
  ecutwfc = 80,
  !lda_plus_u=.true., Hubbard_U(4)=4.3
/
&electrons
  mixing_beta=0.3,
  conv_thr=1.d-6
  mixing_mode='local-TF'
  mixing_ndim=12
  electron_maxstep=1000
/
&ions
/
ATOMIC_SPECIES
La 138.90547 La.pbe-hgh.UPF  ! La.pbe-mt_fhi.UPF
O 15.999 O.pbe-mt.UPF        ! F 18.998403 F.pbe-hgh.UPF
H 1.00794 H.pbe-mt_fhi.UPF
# Fe 55.845 Fe.pbe-sp-mt_gipaw.UPF
Fe 55.845 Fe.pbe-mt_fhi.UPF
As 74.921596 As.pbe-mt_fhi.UPF

CELL_PARAMETERS angstrom
11.97     0.00     0.00
0.00     3.991600575     0.00
0.00     0.00     8.636372966

ATOMIC_POSITIONS crystal
La      0.084333        0.251   0.144227
La      0.417667        0.251   0.144227
La      0.751   0.251   0.144227
La      0.251   0.751   0.857773
La      0.584333        0.751   0.857773
La      0.917667        0.751   0.857773
O       0.251   0.251   0.001
H       0.584333        0.251   0.001
O       0.917667        0.251   0.001
O       0.084333        0.751   0.001
O       0.417667        0.751   0.001
O       0.751   0.751   0.001
Fe      0.251   0.251   0.501
Fe      0.584333        0.251   0.501
Fe      0.917667        0.251   0.501
Fe      0.084333        0.751   0.501
Fe      0.417667        0.751   0.501
Fe      0.751   0.751   0.501
As      0.084333        0.251   0.648885
As      0.417667        0.251   0.648885
As      0.751   0.251   0.648885
As      0.251   0.751   0.353115
As      0.584333        0.751   0.353115
As      0.917667        0.751   0.353115

K_POINTS gamma
