
     Program NEB v.6.0 (svn rev. 13286) starts on  8Feb2017 at 11:58:35 

     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

     Parallel version (MPI), running on     2 processors
     R & G space division:  proc/nbgrp/npool/nimage =       2

     parsing_file_name: symmetric_H2+H.in
     Reading input from pw_1.in
Warning: card &IONS ignored
Warning: card / ignored
               file HUSPBE.RRKJ3: wavefunction(s)  nX renormalized
     Reading input from pw_2.in
Warning: card &IONS ignored
Warning: card / ignored
               file HUSPBE.RRKJ3: wavefunction(s)  nX renormalized

     initial path length           =  4.2553 bohr
     initial inter-image distance  =  0.6079 bohr

     string_method                 =    neb
     restart_mode                  =    from_scratch
     opt_scheme                    =    broyden
     num_of_images                 =    8
     nstep_path                    =    20
     CI_scheme                     =    no-CI
     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                      =    0.2000 eV / A

     ------------------------------ iteration   1 ------------------------------

     tcpu =      0.0    self-consistency for image   1
     tcpu =      0.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      0.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      0.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      0.9    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      1.2    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      1.4    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      1.6    self-consistency for image   8

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   1.626991 eV
     activation energy (<-) =   1.626991 eV

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

         1        -49.5015676            0.013574            T
         2        -49.1101137            1.835292            F
         3        -48.4128662            2.249256            F
         4        -47.8745770            1.873409            F
         5        -47.8745770            1.873379            F
         6        -48.4128662            2.249252            F
         7        -49.1101137            1.835355            F
         8        -49.5015679            0.011531            T

     path length          =  4.255 bohr
     inter-image distance =  0.608 bohr

     ------------------------------ iteration   2 ------------------------------

     tcpu =      1.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      2.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      2.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      2.5    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      2.7    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      3.0    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   1.385556 eV
     activation energy (<-) =   1.385557 eV

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

         1        -49.5015676            0.013574            T
         2        -49.2214825            1.451926            F
         3        -48.6082636            1.970485            F
         4        -48.1160154            1.928506            F
         5        -48.1160112            1.928496            F
         6        -48.6082630            1.970490            F
         7        -49.2214891            1.451909            F
         8        -49.5015679            0.011531            T

     path length          =  4.295 bohr
     inter-image distance =  0.614 bohr

     ------------------------------ iteration   3 ------------------------------

     tcpu =      3.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      3.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      3.6    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      3.8    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      4.0    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      4.2    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   1.058248 eV
     activation energy (<-) =   1.058249 eV

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

         1        -49.5015676            0.013574            T
         2        -49.3736484            1.177696            F
         3        -48.8763138            1.635264            F
         4        -48.4433200            1.701436            F
         5        -48.4433192            1.701429            F
         6        -48.8763100            1.635241            F
         7        -49.3736493            1.177687            F
         8        -49.5015679            0.011531            T

     path length          =  4.449 bohr
     inter-image distance =  0.636 bohr

     ------------------------------ iteration   4 ------------------------------

     tcpu =      4.4    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      4.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      4.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      5.1    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      5.3    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      5.5    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.729931 eV
     activation energy (<-) =   0.729931 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4648057            0.703108            F
         3        -49.1209319            1.468041            F
         4        -48.7716371            1.582528            F
         5        -48.7716380            1.582510            F
         6        -49.1209289            1.468071            F
         7        -49.4648049            0.703126            F
         8        -49.5015679            0.011531            T

     path length          =  4.688 bohr
     inter-image distance =  0.670 bohr

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

     tcpu =      5.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      6.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      6.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      6.4    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      6.6    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      6.9    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.437259 eV
     activation energy (<-) =   0.437260 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4604170            0.963635            F
         3        -49.3093386            1.228548            F
         4        -49.0643083            1.312488            F
         5        -49.0643100            1.312464            F
         6        -49.3093371            1.228571            F
         7        -49.4604185            0.963623            F
         8        -49.5015679            0.011531            T

     path length          =  4.984 bohr
     inter-image distance =  0.712 bohr

     ------------------------------ iteration   6 ------------------------------

     tcpu =      7.1    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      7.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      7.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      7.7    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      7.9    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      8.1    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.230895 eV
     activation energy (<-) =   0.230895 eV

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

         1        -49.5015676            0.013574            T
         2        -49.3750525            2.171438            F
         3        -49.3809302            1.350967            F
         4        -49.2706726            0.882107            F
         5        -49.2706738            0.882086            F
         6        -49.3809305            1.350919            F
         7        -49.3750575            2.171343            F
         8        -49.5015679            0.011531            T

     path length          =  5.311 bohr
     inter-image distance =  0.759 bohr

     ------------------------------ iteration   7 ------------------------------

     tcpu =      8.4    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      8.6    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      8.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      9.0    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      9.2    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      9.4    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.298851 eV
     activation energy (<-) =   0.298852 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4724985            0.651254            F
         3        -49.3807652            0.581606            F
         4        -49.2027164            1.053198            F
         5        -49.2027175            1.053177            F
         6        -49.3807647            0.581629            F
         7        -49.4724986            0.651248            F
         8        -49.5015679            0.011531            T

     path length          =  5.080 bohr
     inter-image distance =  0.726 bohr

     ------------------------------ iteration   8 ------------------------------

     tcpu =      9.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      9.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     10.0    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     10.2    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     10.5    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     10.7    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.225918 eV
     activation energy (<-) =   0.225918 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4763149            0.242196            F
         3        -49.3998391            0.170199            F
         4        -49.2756496            0.682790            F
         5        -49.2756499            0.682788            F
         6        -49.3998392            0.170196            F
         7        -49.4763151            0.242176            F
         8        -49.5015679            0.011531            T

     path length          =  5.183 bohr
     inter-image distance =  0.740 bohr

     ------------------------------ iteration   9 ------------------------------

     tcpu =     10.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     11.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     11.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     11.4    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     11.6    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     11.8    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.196783 eV
     activation energy (<-) =   0.196783 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4770154            0.212119            F
         3        -49.4056314            0.225686            F
         4        -49.3047847            0.385335            F
         5        -49.3047848            0.385333            F
         6        -49.4056314            0.225680            F
         7        -49.4770155            0.212113            F
         8        -49.5015679            0.011531            T

     path length          =  5.247 bohr
     inter-image distance =  0.750 bohr

     ------------------------------ iteration  10 ------------------------------

     tcpu =     12.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     12.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     12.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     12.5    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     12.7    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     12.9    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.189994 eV
     activation energy (<-) =   0.189994 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4783276            0.149106            F
         3        -49.4032537            0.148887            F
         4        -49.3115739            0.306076            F
         5        -49.3115739            0.306077            F
         6        -49.4032538            0.148886            F
         7        -49.4783276            0.149103            F
         8        -49.5015679            0.011531            T

     path length          =  5.262 bohr
     inter-image distance =  0.752 bohr

     ------------------------------ iteration  11 ------------------------------

     tcpu =     13.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     13.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     13.4    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     13.5    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     13.7    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     13.9    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.191357 eV
     activation energy (<-) =   0.191357 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4777074            0.019111            F
         3        -49.4031069            0.193539            F
         4        -49.3102111            0.269739            F
         5        -49.3102111            0.269738            F
         6        -49.4031070            0.193537            F
         7        -49.4777074            0.019110            F
         8        -49.5015679            0.011531            T

     path length          =  5.268 bohr
     inter-image distance =  0.753 bohr

     ------------------------------ iteration  12 ------------------------------

     tcpu =     14.1    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     14.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     14.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     14.7    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     14.9    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     15.1    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.373240 eV
     activation energy (<-) =   0.373241 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4461409            1.127157            F
         3        -49.3767069            0.464591            F
         4        -49.1283272            2.101458            F
         5        -49.1283272            2.101454            F
         6        -49.3767070            0.464587            F
         7        -49.4461430            1.127108            F
         8        -49.5015679            0.011531            T

     path length          =  5.754 bohr
     inter-image distance =  0.822 bohr

     ------------------------------ iteration  13 ------------------------------

     tcpu =     15.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     15.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     15.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     15.9    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     16.2    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     16.4    self-consistency for image   7

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.187402 eV
     activation energy (<-) =   0.187402 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4774313            0.115238            F
         3        -49.4007959            0.050326            F
         4        -49.3141654            0.072982            F
         5        -49.3141655            0.072983            F
         6        -49.4007959            0.050327            F
         7        -49.4774313            0.115238            F
         8        -49.5015679            0.011531            T

     path length          =  5.307 bohr
     inter-image distance =  0.758 bohr

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


     neb: convergence achieved in  13 iterations

     NEB          :    16.36s CPU        16.59s WALL


   This run was terminated on:  11:58:51   8Feb2017            

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