BEGIN
BEGIN_PATH_INPUT
&PATH
  restart_mode      = 'from_scratch'
  string_method     = 'neb',
  nstep_path        = 10,
  ds                = 2.D0,
  opt_scheme        = "broyden",
  num_of_images     = 7,
  k_max             = 0.3D0,
  k_min             = 0.2D0,
  CI_scheme         = "no-CI",
  path_thr          = 0.1D0,
/
END_PATH_INPUT
BEGIN_ENGINE_INPUT
&CONTROL
  pseudo_dir  = "../pseudos",
  prefix      = "test",
  outdir      = "~/scratch/tempdir",
  dipfield    = .true.,
/
&SYSTEM
  ibrav       = 0,
  A           = 2.83D0,
  nat         = 99,
  ntyp        = 1,
  ecutwfc     = 75.D0,
  ecutrho     = 300.D0,
  occupations = "smearing",
  smearing    = "methfessel-paxton",
  degauss     = 0.02D0,
/
&ELECTRONS
  conv_thr    = 1.D-7,
  mixing_beta = 0.05D0,
  mixing_ndim = 4,
  electron_maxstep = 500,
  diagonalization = 'david'
/
K_POINTS ( automatic )
6 6 1 0 0 0
&IONS
/
ATOMIC_SPECIES
Pt  195.084  Pt.pbe-mt_fhi.UPF      
CELL_PARAMETERS (alat)      
5.00000000 0.00000000 0.00000000    
2.50000000 4.33012702 0.00000000    
0.00000000 0.00000000 8.00000000
BEGIN_POSITIONS
FIRST_IMAGE
ATOMIC_POSITIONS (alat)
Pt       1.033757643  -0.009181032   2.438748637
Pt       1.995004350   0.028701250   2.454895793
Pt       2.957184485  -0.049054064   2.373573601
Pt       4.108870904  -0.017846352   2.436883825
Pt       0.535929606   0.850316988   2.380419666
Pt       1.516580447   0.894349650   2.411254610
Pt       2.512038371   0.835948994   2.601938455
Pt       3.552298394   0.721176538   2.568157730
Pt       4.555433011   0.855112310   2.391836454
Pt       1.024675230   1.740889736   2.437150472
Pt       2.005333633   1.786509282   2.438381991
Pt       2.985102206   1.921246052   2.466698868
Pt       3.942139027   1.711119781   2.544483868
Pt       5.015920776   1.689296685   2.422831897
Pt       1.462053052   2.636410819   2.536464439
Pt       2.434683800   2.658806176   2.357223296
Pt       3.588176293   2.648567592   2.396187060
Pt       4.537725773   2.594955519   2.474559147
Pt       5.488173884   2.528686093   2.474104691
Pt       2.006283116   3.477906361   2.423138438
Pt       3.037736515   3.453866385   2.411667466
Pt       4.064151059   3.488217493   2.441458883
Pt       5.056767242   3.403434786   2.374332205
Pt       6.026588817   3.517817525   2.410943419
Pt       0.527775555   0.257023702   1.595777441
Pt       1.488787884   0.316539930   1.605800790
Pt       2.478265325   0.351877380   1.652392881
Pt       3.530590245   0.319571583   1.682640520
Pt       4.555795578   0.284016797   1.580379893
Pt       1.045054738   1.175635820   1.594733284
Pt       2.065587518   1.202370270   1.677287324
Pt       3.015035623   1.165078804   1.785888268
Pt       3.960758505   1.171153765   1.708720460
Pt       5.010453371   1.139671777   1.559286389
Pt       1.523627386   2.055834937   1.643932484
Pt       2.529625994   2.049857376   1.577125966
Pt       3.499622386   2.040727859   1.601315332
Pt       4.446096134   1.995069877   1.721417406
Pt       5.501486137   1.970496058   1.609222947
Pt       1.920749503   2.930354926   1.602779600
Pt       3.022972786   2.887597978   1.601084806
Pt       4.074863652   2.939515616   1.608993498
Pt       5.015189349   2.807948365   1.607922851
Pt       5.963184802   2.865385515   1.676309544
Pt       2.505374575   3.716618012   1.609571726
Pt       3.530776517   3.740562881   1.618095198
Pt       4.542333543   3.809656771   1.632857706
Pt       5.510712797   3.747707863   1.540993046
Pt       6.486942738   3.802996954   1.595307510
Pt       0.998765515   0.581484957   0.798056473
Pt       1.985237877   0.620527576   0.833827744
Pt       3.010531183   0.586917432   0.878983672
Pt       4.022485232   0.614711827   0.847751911
Pt       5.013826711   0.566258844   0.781999350
Pt       1.553678317   1.475763219   0.829750704
Pt       2.532344957   1.428602375   0.844263226
Pt       3.479089176   1.432883759   0.847632878
Pt       4.445043610   1.469062532   0.867080461
Pt       5.527977645   1.428474516   0.792311784
Pt       1.993466012   2.339173177   0.818471100
Pt       3.025753523   2.307614051   0.787893063
Pt       4.035838432   2.346440259   0.845721933
Pt       4.992878628   2.251199242   0.822538116
Pt       6.005493814   2.301497151   0.846528818
Pt       2.493828868   3.148507639   0.808999598
Pt       3.525236852   3.167527732   0.806780273
Pt       4.539698545   3.236163021   0.820700114
Pt       5.482162333   3.138496975   0.810859071
Pt       6.434847272   3.208089139   0.827486184
Pt       3.004175110   3.999683025   0.819472343
Pt       3.995514399   4.059524058   0.827482508
Pt       4.994480636   4.100498753   0.811751186
Pt       6.011083022   4.102871964   0.802160545
Pt       7.011667954   4.024851835   0.808543997
Pt       0.000000000   0.000000000   0.000000000    0   0   0
Pt       1.000000000   0.000000000   0.000000000    0   0   0
Pt       2.000000000   0.000000000   0.000000000    0   0   0
Pt       3.000000000   0.000000000   0.000000000    0   0   0
Pt       4.000000000   0.000000000   0.000000000    0   0   0
Pt       0.500000000   0.866025400   0.000000000    0   0   0
Pt       1.500000000   0.866025400   0.000000000    0   0   0
Pt       2.500000000   0.866025400   0.000000000    0   0   0
Pt       3.500000000   0.866025400   0.000000000    0   0   0
Pt       4.500000000   0.866025400   0.000000000    0   0   0
Pt       1.000000000   1.732050810   0.000000000    0   0   0
Pt       2.000000000   1.732050810   0.000000000    0   0   0
Pt       3.000000000   1.732050810   0.000000000    0   0   0
Pt       4.000000000   1.732050810   0.000000000    0   0   0
Pt       5.000000000   1.732050810   0.000000000    0   0   0
Pt       1.500000000   2.598076210   0.000000000    0   0   0
Pt       2.500000000   2.598076210   0.000000000    0   0   0
Pt       3.500000000   2.598076210   0.000000000    0   0   0
Pt       4.500000000   2.598076210   0.000000000    0   0   0
Pt       5.500000000   2.598076210   0.000000000    0   0   0
Pt       2.000000000   3.464101620   0.000000000    0   0   0
Pt       3.000000000   3.464101620   0.000000000    0   0   0
Pt       4.000000000   3.464101620   0.000000000    0   0   0
Pt       5.000000000   3.464101620   0.000000000    0   0   0
Pt       6.000000000   3.464101620   0.000000000    0   0   0
LAST_IMAGE
ATOMIC_POSITIONS (alat)
Pt       0.050673242  -0.000160060   2.437517321
Pt       1.991564207  -0.002438029   2.422623523
Pt       2.943987342  -0.017486252   2.431303121
Pt       4.093604954  -0.018726174   2.388850150
Pt       0.526050631   0.860004253   2.423659281
Pt       1.493670708   0.859938802   2.422623523
Pt       2.541234225   0.889831991   2.525724919
Pt       3.542714020   0.752221259   2.545656588
Pt       4.538201594   0.852921627   2.387471158
Pt       0.994730176   1.785435417   2.415201514
Pt       1.956850132   1.692285551   2.431303121
Pt       2.922799733   1.825944307   2.545656588
Pt       3.951235335   1.703896518   2.530634208
Pt       5.004292337   1.683956473   2.414920396
Pt       1.573664945   2.569227315   2.417901373
Pt       2.530585134   2.688503565   2.388850150
Pt       3.507752596   2.637711648   2.387471158
Pt       4.460495251   2.625840651   2.414920396
Pt       5.411005396   2.546695151   2.428183852
Pt       1.978345827   3.451599577   2.407634065
Pt       3.025198005   3.508065965   2.437517321
Pt       4.007810850   3.489672703   2.423659281
Pt       5.043597513   3.432845516   2.415201514
Pt       6.011848597   3.542321782   2.417901373
Pt       0.532465116   0.286302640   1.635862504
Pt       1.493357271   0.284839948   1.628559758
Pt       2.491168325   0.312443485   1.631572851
Pt       3.509552633   0.316679582   1.679159356
Pt       4.549218288   0.279792237   1.568337977
Pt       1.022202537   1.195435573   1.607042258
Pt       2.016168163   1.135167908   1.631572851
Pt       3.004016796   1.157019638   1.690447051
Pt       3.981148006   1.144726914   1.666489994
Pt       5.026397520   1.139416222   1.574566960
Pt       1.537261486   2.021601319   1.580554847
Pt       2.529028884   2.014996536   1.679159356
Pt       3.481936590   2.009386448   1.666489994
Pt       4.440212238   1.986207460   1.693140339
Pt       5.466982944   2.017665191   1.592143460
Pt       1.995041109   2.872241605   1.572463108
Pt       3.016916334   2.933817083   1.568337977
Pt       3.999962151   2.917254432   1.574566960
Pt       4.980840786   2.859688116   1.592143460
Pt       5.977819007   2.873945147   1.729180355
Pt       2.480006516   3.741233506   1.612119373
Pt       3.514177921   3.782078611   1.635862504
Pt       4.546378841   3.751637195   1.607042258
Pt       5.519388843   3.784608455   1.580554847
Pt       6.484954747   3.755737098   1.572463108
Pt       1.006003881   0.582587345   0.826654065
Pt       1.996860505   0.575537683   0.811947555
Pt       2.999121281   0.595025617   0.855313324
Pt       4.007117359   0.598640337   0.838108524
Pt       5.022382453   0.575641210   0.787421591
Pt       1.520902329   1.445630268   0.801186954
Pt       2.514867941   1.433777003   0.855313324
Pt       3.488129380   1.436522164   0.840754874
Pt       4.480615737   1.437478241   0.845003203
Pt       5.522750141   1.458257328   0.799883718
Pt       2.046836219   2.288289681   0.796166974
Pt       3.021996419   2.304919859   0.838108524
Pt       3.985200544   2.295562530   0.845003203
Pt       4.953156771   2.282356129   0.807841032
Pt       5.996282982   2.322697316   0.846229451
Pt       2.483872211   3.175903197   0.795251748
Pt       3.509711136   3.195664782   0.787421591
Pt       4.524262965   3.187687851   0.799883718
Pt       5.509656370   3.165559330   0.846229451
Pt       6.466035742   3.155817207   0.830059563
Pt       2.999495225   4.041160448   0.839852474
Pt       4.007537380   4.044032856   0.826654065
Pt       5.012403704   4.058426529   0.801186954
Pt       6.005135102   4.092568935   0.796166974
Pt       6.992348955   4.027246447   0.795251748
Pt       0.000000000   0.000000000   0.000000000    0   0   0
Pt       1.000000000   0.000000000   0.000000000    0   0   0
Pt       2.000000000   0.000000000   0.000000000    0   0   0
Pt       3.000000000   0.000000000   0.000000000    0   0   0
Pt       4.000000000   0.000000000   0.000000000    0   0   0
Pt       0.500000000   0.866025400   0.000000000    0   0   0
Pt       1.500000000   0.866025400   0.000000000    0   0   0
Pt       2.500000000   0.866025400   0.000000000    0   0   0
Pt       3.500000000   0.866025400   0.000000000    0   0   0
Pt       4.500000000   0.866025400   0.000000000    0   0   0
Pt       1.000000000   1.732050810   0.000000000    0   0   0
Pt       2.000000000   1.732050810   0.000000000    0   0   0
Pt       3.000000000   1.732050810   0.000000000    0   0   0
Pt       4.000000000   1.732050810   0.000000000    0   0   0
Pt       5.000000000   1.732050810   0.000000000    0   0   0
Pt       1.500000000   2.598076210   0.000000000    0   0   0
Pt       2.500000000   2.598076210   0.000000000    0   0   0
Pt       3.500000000   2.598076210   0.000000000    0   0   0
Pt       4.500000000   2.598076210   0.000000000    0   0   0
Pt       5.500000000   2.598076210   0.000000000    0   0   0
Pt       2.000000000   3.464101620   0.000000000    0   0   0
Pt       3.000000000   3.464101620   0.000000000    0   0   0
Pt       4.000000000   3.464101620   0.000000000    0   0   0
Pt       5.000000000   3.464101620   0.000000000    0   0   0
Pt       6.000000000   3.464101620   0.000000000    0   0   0
END_POSITIONS
END_ENGINE_INPUT
END
