Dear QE users,<br><br>When I performed a NEB test (example17) by using the command "neb.x -inp H2+H.in  > H2+H.out", an error occurs:   <br><br>parsing_file_name: H2+H.in<br>PGFIO-F-209/OPEN/unit=99/'OLD' specified for file which does not exist.<br>
 File name = H2+H.in<br> In source file path_gen_inputs.F90, at line number 27<br><br>By the way, the example17 is always failed.  I have no idea about it because I am a new learner.<br><br>#######################################################<br>
BEGIN<br>BEGIN_PATH_INPUT<br>&PATH<br>  restart_mode      = 'from_scratch'<br>  string_method     = 'neb',<br>  nstep_path        = 20,<br>  ds                = 2.D0,<br>  opt_scheme        = "broyden",<br>
  num_of_images     = 11,<br>  k_max             = 0.3D0,<br>  k_min             = 0.2D0,<br>  CI_scheme         = "auto",<br>  path_thr          = 0.1D0,<br>/<br>END_PATH_INPUT<br>BEGIN_ENGINE_INPUT<br>&CONTROL<br>
  prefix         = "H2+H"<br>  outdir         = "/home/wangvei/tmp",<br>  pseudo_dir     = "/home/wangvei/works/quantum-espresso/espresso-4.3.1/pseudo",<br>/<br>&SYSTEM<br>  ibrav                  = 0,<br>
  celldm(1)              = 1.D0,<br>  nat                    = 3,<br>  ntyp                   = 1,<br>  ecutwfc                = 20.0D0,<br>  ecutrho                = 100.0D0,<br>  nspin                  = 2,<br>  starting_magnetization = 0.5D0,<br>
  occupations            = "smearing",<br>  degauss                = 0.03D0,<br>/<br>&ELECTRONS<br>  conv_thr    = 1.D-8,<br>  mixing_beta = 0.3D0,<br>/<br>&IONS<br>/<br>ATOMIC_SPECIES<br>H  1.00794  HUSPBE.RRKJ3<br>
BEGIN_POSITIONS<br>FIRST_IMAGE<br>ATOMIC_POSITIONS { bohr }<br>H   -4.56670009      0.00000000      0.00000000  1  0  0<br>H    0.00000000      0.00000000      0.00000000  0  0  0<br>H    1.55776676      0.00000000      0.00000000  1  0  0<br>
LAST_IMAGE<br>ATOMIC_POSITIONS { bohr }<br>H   -1.55776676      0.00000000      0.00000000<br>H    0.00000000      0.00000000      0.00000000<br>H    4.56670009      0.00000000      0.00000000<br>END_POSITIONS<br>K_POINTS { gamma }<br>
CELL_PARAMETERS { cubic }<br>  12.00000  0.00000  0.00000<br>   0.00000  5.00000  0.00000<br>   0.00000  0.00000  5.00000<br>END_ENGINE_INPUT<br>END<br>#######################################################<br><br>Best Regards,<br>
WANG <span class="contentTitle"><a href="http://dict.youdao.com/search?q=new&keyfrom=E2Ctranslation"></a></span><span class="contentTitle"></span>