 BEGIN
 BEGIN_PATH_INPUT
 &PATH
  restart_mode  ='from_scratch',
  string_method ='neb',
  nstep_path    =50,
  opt_scheme    ="broyden",
  num_of_images =3,
 /
 END_PATH_INPUT
 BEGIN_ENGINE_INPUT
 &CONTROL
  calculation="relax",
  prefix='neb_au_p4x4_4lagen',
  pseudo_dir='/home/supas331/pseudo/',
  outdir='.',
 /
 &SYSTEM
  ibrav       = 0,
  celldm(1)   = 7.853,
  nat         = 65,
  ntyp        = 2,
  ecutwfc     = 25.0,
  smearing    ='mp',
  degauss     = 0.01,
  occupations ='smearing',
 /
 &ELECTRONS
  mixing_beta=0.3,
  conv_thr=1.0D-6,
 /
 &IONS
  ion_dynamics='bfgs',
  bfgs_ndim=3,
 /
 ATOMIC_SPECIES
  Au 1.0 au_pbe_v1.uspp.F.UPF
  Cl 1.0 cl_pbe_v1.4.uspp.F.UPF
 CELL_PARAMETERS { alat }
  2.0000 2.0000 0.0000
 -2.0000 2.0000 0.0000
  0.0000 0.0000 5.0000
 BEGIN_POSITIONS
 FIRST_IMAGE
 ATOMIC_POSITIONS { alat }
Au       0.000000000   0.000000000   0.000000000    0   0   0
Au       0.500000000   0.500000000   0.000000000    0   0   0
Au       1.000000000   1.000000000   0.000000000    0   0   0
Au       1.500000000   1.500000000   0.000000000    0   0   0
Au      -0.500000000   0.500000000   0.000000000    0   0   0
Au       0.000000000   1.000000000   0.000000000    0   0   0
Au       0.500000000   1.500000000   0.000000000    0   0   0
Au       1.000000000   2.000000000   0.000000000    0   0   0
Au      -1.000000000   1.000000000   0.000000000    0   0   0
Au      -0.500000000   1.500000000   0.000000000    0   0   0
Au       0.000000000   2.000000000   0.000000000    0   0   0
Au       0.500000000   2.500000000   0.000000000    0   0   0
Au      -1.500000000   1.500000000   0.000000000    0   0   0
Au      -1.000000000   2.000000000   0.000000000    0   0   0
Au      -0.500000000   2.500000000   0.000000000    0   0   0
Au       0.000000000   3.000000000   0.000000000    0   0   0
Au      -0.000000240   0.500340581   0.491315330
Au       0.499784019   0.999408262   0.492626595
Au       1.000591145   1.500215429   0.492626231
Au       1.499659929   2.000000724   0.491315386
Au      -0.499785980   0.999409623   0.492625455
Au      -0.000001703   1.498473097   0.493413364
Au       0.501526557   2.000001164   0.493413545
Au       1.000590947   2.499786162   0.492625759
Au      -1.000591155   1.500215066   0.492624816
Au      -0.501527224   1.999999212   0.493412754
Au       0.000000297   2.501527130   0.493413089
Au       0.499785575   3.000591611   0.492625123
Au      -1.499658646   1.999998920   0.491315162
Au      -1.000591080   2.499783106   0.492626173
Au      -0.499783677   3.000590360   0.492626554
Au       0.000001634   3.499659040   0.491315234
Au       0.000001486  -0.000000528   0.988540025
Au       0.498700274   0.498698745   0.991126014
Au       1.000000258   0.999998979   0.989825217
Au       1.501300749   1.501299446   0.991126170
Au      -0.498701337   0.498701812   0.991125784
Au      -0.000001515   0.996866430   0.994280908
Au       0.499418177   1.500581011   0.989628582
Au       1.003133060   2.000001552   0.994280417
Au      -1.000000462   1.000001380   0.989824785
Au      -0.499420983   1.500580575   0.989628138
Au      -0.000001337   2.000000432   0.991482733
Au       0.499419209   2.499420979   0.989628455
Au      -1.501298164   1.501299080   0.991124969
Au      -1.003133158   1.999998424   0.994279785
Au      -0.499419009   2.499418258   0.989628392
Au       0.000001634   3.003133640   0.994280646
Au      -0.000000700   0.512424079   1.484645935
Au       0.502284386   1.002256672   1.482984563
Au       0.997743132   1.497715662   1.482984944
Au       1.487576174   2.000001220   1.484646034
Au      -0.502286847   1.002258063   1.482985469
Au      -0.000002093   1.500743077   1.483752265
Au       0.499256650   2.000001599   1.483752117
Au       0.997742632   2.502286651   1.482985917
Au      -0.997743346   1.497714891   1.482985661
Au      -0.499258125   1.999999080   1.483752760
Au       0.000000384   2.499257517   1.483752522
Au       0.502286264   2.997743544   1.482985496
Au      -1.487575105   1.999997990   1.484645440
Au      -0.997742667   2.502283054   1.482985163
Au      -0.502283692   2.997742058   1.482984968
Au       0.000002465   3.487575497   1.484645807
Cl       0.000000000   0.000000000   1.943086520    0   0   1
 LAST_IMAGE
 ATOMIC_POSITIONS { alat }
Au       0.000000000   0.000000000   0.000000000    0   0   0
Au       0.500000000   0.500000000   0.000000000    0   0   0
Au       1.000000000   1.000000000   0.000000000    0   0   0
Au       1.500000000   1.500000000   0.000000000    0   0   0
Au      -0.500000000   0.500000000   0.000000000    0   0   0
Au       0.000000000   1.000000000   0.000000000    0   0   0
Au       0.500000000   1.500000000   0.000000000    0   0   0
Au       1.000000000   2.000000000   0.000000000    0   0   0
Au      -1.000000000   1.000000000   0.000000000    0   0   0
Au      -0.500000000   1.500000000   0.000000000    0   0   0
Au       0.000000000   2.000000000   0.000000000    0   0   0
Au       0.500000000   2.500000000   0.000000000    0   0   0
Au      -1.500000000   1.500000000   0.000000000    0   0   0
Au      -1.000000000   2.000000000   0.000000000    0   0   0
Au      -0.500000000   2.500000000   0.000000000    0   0   0
Au       0.000000000   3.000000000   0.000000000    0   0   0
Au       0.000145712   0.500143745   0.491706726
Au       0.499854030   0.999851513   0.491700247
Au       1.000125442   1.500123026   0.491812310
Au       1.499879461   1.999877297   0.491818838
Au      -0.500366665   0.999969865   0.491833244
Au       0.000027312   1.500363389   0.491828476
Au       0.499630911   1.998314674   0.493243717
Au       1.001687746   2.500372363   0.493248747
Au      -0.999575625   1.500426734   0.492881251
Au      -0.500430222   1.999572851   0.492876510
Au       0.000432371   2.500435255   0.492200103
Au       0.499568062   2.999570268   0.492204854
Au      -1.500030263   1.999633174   0.491839822
Au      -0.999636013   2.500027592   0.491833262
Au      -0.501685229   2.999630701   0.493248900
Au       0.000372061   3.501687321   0.493255791
Au       0.000058445   0.003143701   0.992540734
Au       0.499517460   0.500478303   0.989965843
Au       0.996856634   0.999941207   0.992520392
Au       1.500464800   1.499539726   0.989653362
Au      -0.496854078   0.500056496   0.992530731
Au       0.000480344   0.999515197   0.989954600
Au       0.499943294   1.496854215   0.992508692
Au       0.999542323   2.000462529   0.989641998
Au      -1.000528965   0.999493506   0.990422947
Au      -0.499632767   1.499627920   0.990731719
Au       0.000506432   2.000529222   0.990397609
Au       0.499844382   2.500160612   0.991078059
Au      -1.500508863   1.499473119   0.990433452
Au      -1.000374392   2.000369659   0.990743200
Au      -0.499472971   2.500508669   0.990411209
Au       0.000158530   2.999846425   0.991089258
Au      -0.014931102   0.485070073   1.485500738
Au       0.514927297   1.014929422   1.485479768
Au       1.003950238   1.503952576   1.483095024
Au       1.496045951   1.996047199   1.483117547
Au      -0.505623446   1.003698436   1.480269951
Au      -0.003695631   1.505625553   1.480248347
Au       0.500253512   2.000421109   1.483103298
Au       0.999577071   2.499743727   1.483124310
Au      -0.999889056   1.500109343   1.484099153
Au      -0.500106236   1.999890786   1.484077934
Au      -0.000005690   2.499991223   1.483544237
Au       0.500005479   3.000003803   1.483565642
Au      -1.496302288   1.994375614   1.480292964
Au      -0.994374693   2.496303791   1.480270013
Au      -0.499578213   3.000254403   1.483124488
Au      -0.000256194   3.499577405   1.483147502
Cl       0.250000000   0.750000000   1.962157908    0   0   1
 END_POSITIONS
 K_POINTS { automatic }
 5 5 1 0 0 0
 END_ENGINE_INPUT
 END
