
     Program NEB v.5.0.2 (svn rev. 9400) starts on  8Jan2013 at 23: 0:37 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote.php

     Serial multi-threaded version, running on    2 processor cores
Warning: card &IONS ignored
Warning: card / ignored
     Message from routine read_cards :
     DEPRECATED: no units specified in CELL_PARAMETERS card
               file HUSPBE.RRKJ3: wavefunction(s)  nX renormalized
Warning: card &IONS ignored
Warning: card / ignored
     Message from routine read_cards :
     DEPRECATED: no units specified in CELL_PARAMETERS card
               file HUSPBE.RRKJ3: wavefunction(s)  nX renormalized

     reading file 'asymmetric_H2+H.path'

 
     string_method                 =    neb
     restart_mode                  =    restart
     opt_scheme                    =    broyden
     num_of_images                 =    8
     nstep_path                    =    20
     CI_scheme                     =    manual
     first_last_opt                =    F
     use_freezing                  =    F
     ds                            =    2.0000 a.u.
     k_max                         =    0.3000 a.u.
     k_min                         =    0.2000 a.u.
     suggested k_max               =    0.1542 a.u.
     suggested k_min               =    0.1028 a.u.
     path_thr                      =    0.0500 eV / A

     list of climbing images :   5,

     ------------------------------ iteration  16 ------------------------------

     tcpu =      0.0    self-consistency for image   2
     tcpu =      0.5    self-consistency for image   3
     tcpu =      0.9    self-consistency for image   4
     tcpu =      1.3    self-consistency for image   5
     tcpu =      1.7    self-consistency for image   6
     tcpu =      2.1    self-consistency for image   7

     activation energy (->) =   0.204233 eV
     activation energy (<-) =   0.204233 eV

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

         1        -49.5015679            0.011546            T
         2        -49.4825483            0.026323            F
         3        -49.4226281            0.037672            F
         4        -49.3410570            0.008493            F
         5        -49.2973353            0.015769            F
         6        -49.3702936            0.001575            F
         7        -49.4683950            0.016360            F
         8        -49.5015679            0.011556            T

     path length          =  5.326 bohr
     inter-image distance =  0.761 bohr

     ---------------------------------------------------------------------------


     neb: convergence achieved in  16 iterations
 
     NEB          :     4.49s CPU         2.49s WALL

 
   This run was terminated on:  23: 0:40   8Jan2013            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
