
     Program NEB v.6.1 (svn rev. 13369) starts on 26Aug2017 at 18:52:38 

     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 & OpenMP), running on       2 processor cores
     Number of MPI processes:                 1
     Threads/MPI process:                     2

     parsing_file_name: Al001+H_bc3.in
     Reading input from pw_1.in
     Reading input from pw_2.in

     initial path length           =  7.6525 bohr
     initial inter-image distance  =  1.9131 bohr

     string_method                 =    neb
     restart_mode                  =    from_scratch
     opt_scheme                    =    broyden
     num_of_images                 =    5
     nstep_path                    =    50
     CI_scheme                     =    no-CI
     first_last_opt                =    F
     use_freezing                  =    F
     ds                            =    1.0000 a.u.
     k_max                         =    0.1000 a.u.
     k_min                         =    0.1000 a.u.
     suggested k_max               =    0.6169 a.u.
     suggested k_min               =    0.6169 a.u.
     path_thr                      =    0.0500 eV / A

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

     tcpu =      0.1    self-consistency for image   1
     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 =     28.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     41.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     57.7    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.538553 eV
     activation energy (<-) =   0.538552 eV

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

         1       -689.3121255            0.019784            T
         2       -689.1734677            1.156662            F
         3       -688.7735726            1.066850            F
         4       -689.1734713            1.156602            F
         5       -689.3121245            0.019154            T

     path length          =  7.653 bohr
     inter-image distance =  1.913 bohr

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

     tcpu =     68.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     73.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     78.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.527115 eV
     activation energy (<-) =   0.527114 eV

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

         1       -689.3121255            0.019784            T
         2       -689.1868365            1.129210            F
         3       -688.7850108            1.058948            F
         4       -689.1868359            1.130034            F
         5       -689.3121245            0.019154            T

     path length          =  7.653 bohr
     inter-image distance =  1.913 bohr

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

     tcpu =     84.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     95.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    107.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.353705 eV
     activation energy (<-) =   0.353704 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3471031            0.518452            F
         3       -688.9584206            0.908082            F
         4       -689.3471733            0.518113            F
         5       -689.3121245            0.019154            T

     path length          =  7.726 bohr
     inter-image distance =  1.932 bohr

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

     tcpu =    118.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    130.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    141.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.207063 eV
     activation energy (<-) =   0.207062 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3565693            0.496148            F
         3       -689.1050629            0.712943            F
         4       -689.3564363            0.497794            F
         5       -689.3121245            0.019154            T

     path length          =  7.919 bohr
     inter-image distance =  1.980 bohr

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

     tcpu =    154.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    161.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    168.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.224583 eV
     activation energy (<-) =   0.224582 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3701027            0.275388            F
         3       -689.0875424            0.741033            F
         4       -689.3700393            0.277721            F
         5       -689.3121245            0.019154            T

     path length          =  7.872 bohr
     inter-image distance =  1.968 bohr

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

     tcpu =    175.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    181.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    187.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.213982 eV
     activation energy (<-) =   0.213981 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3674647            0.320988            F
         3       -689.0981432            0.723051            F
         4       -689.3673925            0.323061            F
         5       -689.3121245            0.019154            T

     path length          =  7.881 bohr
     inter-image distance =  1.970 bohr

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

     tcpu =    193.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    198.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    203.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.206700 eV
     activation energy (<-) =   0.206699 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3680205            0.315500            F
         3       -689.1054254            0.711470            F
         4       -689.3679605            0.316441            F
         5       -689.3121245            0.019154            T

     path length          =  7.877 bohr
     inter-image distance =  1.969 bohr

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

     tcpu =    208.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    218.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    230.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.071862 eV
     activation energy (<-) =   0.071861 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3709571            0.540570            F
         3       -689.2402635            0.377214            F
         4       -689.3709352            0.541281            F
         5       -689.3121245            0.019154            T

     path length          =  7.997 bohr
     inter-image distance =  1.999 bohr

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

     tcpu =    240.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3823.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3834.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.086055 eV
     activation energy (<-) =   0.086054 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3727686            0.386298            F
         3       -689.2260708            0.423582            F
         4       -689.3727610            0.386724            F
         5       -689.3121245            0.019154            T

     path length          =  7.957 bohr
     inter-image distance =  1.989 bohr

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

     tcpu =   3840.5    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3845.6    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3851.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.076306 eV
     activation energy (<-) =   0.076305 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3723243            0.423559            F
         3       -689.2358194            0.387281            F
         4       -689.3723091            0.424048            F
         5       -689.3121245            0.019154            T

     path length          =  7.983 bohr
     inter-image distance =  1.996 bohr

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

     tcpu =   3856.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3861.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3866.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.077648 eV
     activation energy (<-) =   0.077647 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3729626            0.365496            F
         3       -689.2344779            0.392248            F
         4       -689.3729517            0.365896            F
         5       -689.3121245            0.019154            T

     path length          =  7.979 bohr
     inter-image distance =  1.995 bohr

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

     tcpu =   3871.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3876.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3882.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.073249 eV
     activation energy (<-) =   0.073248 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3738934            0.274705            F
         3       -689.2388763            0.376396            F
         4       -689.3738819            0.274888            F
         5       -689.3121245            0.019154            T

     path length          =  7.991 bohr
     inter-image distance =  1.998 bohr

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

     tcpu =   3887.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3895.6    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3904.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.057059 eV
     activation energy (<-) =   0.057058 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3769667            0.088854            F
         3       -689.2550669            0.304839            F
         4       -689.3769640            0.089380            F
         5       -689.3121245            0.019154            T

     path length          =  8.047 bohr
     inter-image distance =  2.012 bohr

     ------------------------------ iteration  14 ------------------------------

     tcpu =   3913.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3918.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3923.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.055826 eV
     activation energy (<-) =   0.055825 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3771785            0.092897            F
         3       -689.2562998            0.293133            F
         4       -689.3771758            0.093225            F
         5       -689.3121245            0.019154            T

     path length          =  8.052 bohr
     inter-image distance =  2.013 bohr

     ------------------------------ iteration  15 ------------------------------

     tcpu =   3928.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3933.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3938.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.056306 eV
     activation energy (<-) =   0.056305 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3770763            0.074267            F
         3       -689.2558194            0.302188            F
         4       -689.3770722            0.074490            F
         5       -689.3121245            0.019154            T

     path length          =  8.050 bohr
     inter-image distance =  2.013 bohr

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

     tcpu =   3942.4    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3946.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3952.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.054792 eV
     activation energy (<-) =   0.054791 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3771042            0.074376            F
         3       -689.2573340            0.285372            F
         4       -689.3771006            0.074503            F
         5       -689.3121245            0.019154            T

     path length          =  8.057 bohr
     inter-image distance =  2.014 bohr

     ------------------------------ iteration  17 ------------------------------

     tcpu =   3956.5    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3962.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3968.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.047756 eV
     activation energy (<-) =   0.047755 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3757481            0.191988            F
         3       -689.2643699            0.246895            F
         4       -689.3757445            0.192714            F
         5       -689.3121245            0.019154            T

     path length          =  8.090 bohr
     inter-image distance =  2.022 bohr

     ------------------------------ iteration  18 ------------------------------

     tcpu =   3974.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3979.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3984.0    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.048380 eV
     activation energy (<-) =   0.048379 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3761133            0.159995            F
         3       -689.2637453            0.251514            F
         4       -689.3761103            0.160523            F
         5       -689.3121245            0.019154            T

     path length          =  8.087 bohr
     inter-image distance =  2.022 bohr

     ------------------------------ iteration  19 ------------------------------

     tcpu =   3988.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   3994.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4000.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.054047 eV
     activation energy (<-) =   0.054046 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3771792            0.070703            F
         3       -689.2580784            0.289250            F
         4       -689.3771760            0.070819            F
         5       -689.3121245            0.019154            T

     path length          =  8.060 bohr
     inter-image distance =  2.015 bohr

     ------------------------------ iteration  20 ------------------------------

     tcpu =   4005.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4011.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4016.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.049804 eV
     activation energy (<-) =   0.049803 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3766524            0.097504            F
         3       -689.2623220            0.261793            F
         4       -689.3766497            0.097776            F
         5       -689.3121245            0.019154            T

     path length          =  8.080 bohr
     inter-image distance =  2.020 bohr

     ------------------------------ iteration  21 ------------------------------

     tcpu =   4021.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4025.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4030.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.049266 eV
     activation energy (<-) =   0.049265 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3767715            0.085644            F
         3       -689.2628592            0.259439            F
         4       -689.3767688            0.085846            F
         5       -689.3121245            0.019154            T

     path length          =  8.082 bohr
     inter-image distance =  2.021 bohr

     ------------------------------ iteration  22 ------------------------------

     tcpu =   4033.5    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4039.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4048.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.042718 eV
     activation energy (<-) =   0.042717 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3779782            0.041626            F
         3       -689.2694080            0.213134            F
         4       -689.3779784            0.042058            F
         5       -689.3121245            0.019154            T

     path length          =  8.123 bohr
     inter-image distance =  2.031 bohr

     ------------------------------ iteration  23 ------------------------------

     tcpu =   4053.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4058.6    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4064.6    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.039490 eV
     activation energy (<-) =   0.039489 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3785142            0.105881            F
         3       -689.2726356            0.185707            F
         4       -689.3785174            0.106601            F
         5       -689.3121245            0.019154            T

     path length          =  8.149 bohr
     inter-image distance =  2.037 bohr

     ------------------------------ iteration  24 ------------------------------

     tcpu =   4069.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4072.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4075.6    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.039495 eV
     activation energy (<-) =   0.039494 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3784435            0.087954            F
         3       -689.2726306            0.187052            F
         4       -689.3784461            0.088453            F
         5       -689.3121245            0.019154            T

     path length          =  8.149 bohr
     inter-image distance =  2.037 bohr

     ------------------------------ iteration  25 ------------------------------

     tcpu =   4079.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4082.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4086.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.039654 eV
     activation energy (<-) =   0.039653 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3783369            0.068575            F
         3       -689.2724713            0.188567            F
         4       -689.3783386            0.068958            F
         5       -689.3121245            0.019154            T

     path length          =  8.147 bohr
     inter-image distance =  2.037 bohr

     ------------------------------ iteration  26 ------------------------------

     tcpu =   4090.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4094.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4099.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.039030 eV
     activation energy (<-) =   0.039029 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3781976            0.035328            F
         3       -689.2730955            0.180066            F
         4       -689.3781982            0.035445            F
         5       -689.3121245            0.019154            T

     path length          =  8.152 bohr
     inter-image distance =  2.038 bohr

     ------------------------------ iteration  27 ------------------------------

     tcpu =   4104.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4108.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4115.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.037879 eV
     activation energy (<-) =   0.037878 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3778959            0.026928            F
         3       -689.2742462            0.170647            F
         4       -689.3778941            0.026996            F
         5       -689.3121245            0.019154            T

     path length          =  8.162 bohr
     inter-image distance =  2.041 bohr

     broyden uphill step : history is reset


     ------------------------------ iteration  28 ------------------------------

     tcpu =   4119.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4122.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4127.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.037618 eV
     activation energy (<-) =   0.037617 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3948265            0.027557            F
         3       -689.2745077            0.166025            F
         4       -689.3948650            0.027685            F
         5       -689.3121245            0.019154            T

     path length          =  8.165 bohr
     inter-image distance =  2.041 bohr

     ------------------------------ iteration  29 ------------------------------

     tcpu =   4130.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4136.6    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4145.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.030019 eV
     activation energy (<-) =   0.030018 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3783955            0.031230            F
         3       -689.2821070            0.067257            F
         4       -689.3784001            0.030471            F
         5       -689.3121245            0.019154            T

     path length          =  8.275 bohr
     inter-image distance =  2.069 bohr

     ------------------------------ iteration  30 ------------------------------

     tcpu =   4152.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4158.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =   4169.0    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.028093 eV
     activation energy (<-) =   0.028092 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3787205            0.044603            F
         3       -689.2840327            0.014566            F
         4       -689.3787265            0.043331            F
         5       -689.3121245            0.019154            T

     path length          =  8.374 bohr
     inter-image distance =  2.093 bohr

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


     neb: convergence achieved in  30 iterations

     NEB          :     0h12m CPU        1h 9m WALL


   This run was terminated on:  20: 2:13  26Aug2017            

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