
     Program NEB v.6.0 (svn rev. 13286) starts on  8Feb2017 at 11:58:21 

     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: 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  =  0.7092 bohr

     string_method                 =    neb
     restart_mode                  =    from_scratch
     opt_scheme                    =    broyden
     num_of_images                 =    7
     nstep_path                    =    20
     CI_scheme                     =    auto
     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                      =    0.1000 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 =      1.1    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

     activation energy (->) =   1.705732 eV
     activation energy (<-) =   1.705733 eV

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

         1        -49.5015676            0.013574            T
         2        -49.0010554            2.084207            F
         3        -48.1936707            2.303349            F
         4        -47.7958353            1.708822            F
         5        -48.1936704            2.303535            F
         6        -49.0010554            2.084320            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  4.255 bohr
     inter-image distance =  0.709 bohr

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

     tcpu =      1.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      1.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      2.0    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      2.3    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      2.5    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   1.463699 eV
     activation energy (<-) =   1.463699 eV

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

         1        -49.5015676            0.013574            T
         2        -49.1182336            1.626445            F
         3        -48.3973425            2.006053            F
         4        -48.0378687            1.728198            F
         5        -48.3973693            2.006055            F
         6        -49.1182466            1.626407            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  4.293 bohr
     inter-image distance =  0.715 bohr

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

     tcpu =      2.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      3.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      3.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      3.4    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      3.6    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   1.098897 eV
     activation energy (<-) =   1.098897 eV

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

         1        -49.5015676            0.013574            T
         2        -49.3117412            1.332370            F
         3        -48.7120621            1.599166            F
         4        -48.4026708            1.696448            F
         5        -48.7120663            1.599145            F
         6        -49.3117556            1.332258            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  4.457 bohr
     inter-image distance =  0.743 bohr

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

     tcpu =      3.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      4.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      4.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      4.5    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      4.7    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.735913 eV
     activation energy (<-) =   0.735914 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4419562            0.967055            F
         3        -49.0138453            1.611289            F
         4        -48.7656543            1.534886            F
         5        -49.0138367            1.611281            F
         6        -49.4419608            0.966933            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  4.720 bohr
     inter-image distance =  0.787 bohr

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

     tcpu =      4.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      5.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      5.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      5.5    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      5.7    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.416412 eV
     activation energy (<-) =   0.416412 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4475332            1.270246            F
         3        -49.2552658            1.404920            F
         4        -49.0851556            1.144448            F
         5        -49.2552524            1.404933            F
         6        -49.4475313            1.270159            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  5.051 bohr
     inter-image distance =  0.842 bohr

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

     tcpu =      5.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      6.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      6.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      6.6    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      6.7    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.212463 eV
     activation energy (<-) =   0.212463 eV

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

         1        -49.5015676            0.013574            T
         2        -49.3551676            2.334362            F
         3        -49.3494449            1.813852            F
         4        -49.2891047            0.273041            F
         5        -49.3494450            1.813644            F
         6        -49.3551733            2.334244            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  5.415 bohr
     inter-image distance =  0.903 bohr

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

     tcpu =      7.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      7.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      7.4    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      7.6    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      7.8    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.309326 eV
     activation energy (<-) =   0.309326 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4632936            0.843270            F
         3        -49.3388129            0.644250            F
         4        -49.1922420            0.868255            F
         5        -49.3388028            0.644294            F
         6        -49.4632925            0.843178            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  5.104 bohr
     inter-image distance =  0.851 bohr

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

     tcpu =      8.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      8.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      8.4    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      8.6    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      8.8    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.258048 eV
     activation energy (<-) =   0.258049 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4700369            0.152299            F
         3        -49.3626697            0.444404            F
         4        -49.2435194            0.651383            F
         5        -49.3626626            0.444442            F
         6        -49.4700359            0.152280            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  5.153 bohr
     inter-image distance =  0.859 bohr

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

     tcpu =      9.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      9.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      9.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      9.5    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =      9.7    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.223949 eV
     activation energy (<-) =   0.223950 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4688421            0.342532            F
         3        -49.3763938            0.367513            F
         4        -49.2776181            0.412502            F
         5        -49.3763885            0.367501            F
         6        -49.4688408            0.342525            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  5.215 bohr
     inter-image distance =  0.869 bohr

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

     tcpu =      9.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     10.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     10.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     10.4    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     10.6    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.219790 eV
     activation energy (<-) =   0.219791 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4707428            0.170911            F
         3        -49.3718406            0.271172            F
         4        -49.2817773            0.369401            F
         5        -49.3718355            0.271172            F
         6        -49.4707415            0.170914            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  5.215 bohr
     inter-image distance =  0.869 bohr

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

     tcpu =     10.8    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 =     11.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     11.3    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     11.5    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.213889 eV
     activation energy (<-) =   0.213889 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4700575            0.049855            F
         3        -49.3706682            0.177752            F
         4        -49.2876788            0.294954            F
         5        -49.3706631            0.177758            F
         6        -49.4700562            0.049861            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  5.241 bohr
     inter-image distance =  0.873 bohr

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

     tcpu =     11.7    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     11.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     12.0    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     12.2    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     12.4    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.205165 eV
     activation energy (<-) =   0.205166 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4688202            0.141150            F
         3        -49.3705417            0.080860            F
         4        -49.2964022            0.094286            F
         5        -49.3705370            0.080861            F
         6        -49.4688188            0.141147            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  5.294 bohr
     inter-image distance =  0.882 bohr

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

     tcpu =     12.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     12.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     12.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     13.1    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     13.3    self-consistency for image   6

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.204267 eV
     activation energy (<-) =   0.204268 eV

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

         1        -49.5015676            0.013574            T
         2        -49.4685891            0.045472            F
         3        -49.3702197            0.042450            F
         4        -49.2973002            0.017308            F
         5        -49.3702150            0.042447            F
         6        -49.4685876            0.045472            F
         7        -49.5015679            0.011781            T

     climbing image =  4

     path length          =  5.312 bohr
     inter-image distance =  0.885 bohr

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


     neb: convergence achieved in  13 iterations

     NEB          :    13.26s CPU        13.44s WALL


   This run was terminated on:  11:58:35   8Feb2017            

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