[QE-users] NEB error: End of file

[Michal Krompiec]

Hello,
I'm struggling with my first NEB calculation, NEB crashes with the
following error:
input file: neb1.in, output file: neb1.out
At line 116 of file path_gen_inputs.f90 (unit = 99, file = 'neb1.in')
Fortran runtime error: End of file

I understand that this is because the parser can't find something in my
input file, correct? Can anybody please point me to where the problem is?
This is my input file (without the actual atom positions):

BEGIN
BEGIN_PATH_INPUT
&PATH
  restart_mode      = 'from_scratch'
  nstep_path        = 20,
  opt_scheme        = "broyden",
  num_of_images     = 10,
  minimum_image     = .false.
/
END_PATH_INPUT
BEGIN_ENGINE_INPUT
&CONTROL
  prefix         = "reaction"
/
&SYSTEM
  dftd3_version = 3,
  vdw_corr = 'dft-d3',
   ecutwfc          = 40
   ecutrho          = 320
   occupations      = 'fixed'
   input_dft        = 'pbe'
   assume_isolated  = '2D'
   ntyp             = 4
   nat              = 171
   ibrav            = 0
/
&ELECTRONS
   electron_maxstep = 1000
   mixing_mode= 'local-TF'
   conv_thr = 1e-7
/

ATOMIC_SPECIES
O 15.999 O.pbe-n-kjpaw_psl.1.0.0.UPF
Si 28.085 Si.pbe-n-kjpaw_psl.1.0.0.UPF
H 1.008 H.pbe-kjpaw_psl.1.0.0.UPF
Cl 35.45 Cl.pbe-n-kjpaw_psl.1.0.0.UPF

FIRST_IMAGE
ATOMIC_POSITIONS angstrom
...atoms go here...
LAST_IMAGE
ATOMIC_POSITIONS angstrom
...atoms go here...
END_POSITIONS
K_POINTS {automatic}
3 3 1  0 0 0
CELL_PARAMETERS {angstrom}
17.43047000000000 0.00000000000000 0.00000000000000
0.00000000000000 10.14946000000000 0.00000000000000
0.00000000000000 0.00000000000000 39.00000000000000
END_ENGINE_INPUT
END

Thanks,
Michal

Dr. Michal Krompiec

School of Chemistry, University of Southampton &  Merck KGaA
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