[Pw_forum] neb

[ÇÍÓÇä ÚÑíÞÇÊ]

Hi 
below is neb output file ,it`s still running ,my
question can this neb job converged ? If no,how could
I make it better
best regard
Ihsan
Jordan university -Amman 

     calculation                   =  neb
     restart_mode                  =  restart
     opt_scheme                    =  broyden
     num_of_images                 =  8
     nstep                         =  50
     CI_scheme                     =  no-CI
     first_last_opt                =  F
     coarse-grained phase-space    =  F
     use_freezing                  =  F
     ds                            =  1.0000 a.u.
     k_max                         =  0.3000 a.u.
     k_min                         =  0.2000 a.u.
     suggested k_max               =  0.6169 a.u.
     suggested k_min               =  0.4112 a.u.
     path_thr                      =  0.1000 eV / A

     ------------------------------ iteration   5
------------------------------

     tcpu =      0.1    self-consistency for image   2
     tcpu = 233610.5    self-consistency for image   3
     tcpu = 495616.2    self-consistency for image   4
     tcpu = 525905.7    self-consistency for image   5
     tcpu = 557074.3    self-consistency for image   6
     tcpu = 586500.5    self-consistency for image   7

     activation energy (->) =   5.301332 eV
     activation energy (<-) =   1.314140 eV

     image        energy (eV)        error (eV/A)     
  frozen

         1     -24438.8519036            1.707793     
      T
         2     -24436.1036226            3.559105     
      F
         3     -24436.1776232            1.594526     
      F
         4     -24434.4137114            3.410501     
      F
         5     -24433.5505712            3.090315     
      F
         6     -24434.3100502            2.919468     
      F
         7     -24434.8021457            3.902409     
      F
         8     -24434.8647109            3.415599     
      T

     path length          = 11.684 bohr
     inter-image distance =  1.669 bohr



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