
     Program NEB v.6.1 (svn rev. 13369) starts on 26Aug2017 at 20: 2:13 

     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_fcp0.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
     target Fermi energy           =   -4.5239 eV
     Fermi_thr                     =    0.0136 V

     ------------------------------ 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 =     29.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     42.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     59.1    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

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.463254           -0.060693      0.000000
         3          -4.464196           -0.059751      0.000000
         4          -4.461806           -0.062141      0.000000
         5          -4.504008           -0.019939      0.000000

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

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

     tcpu =     71.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     77.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     82.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.527108 eV
     activation energy (<-) =   0.527107 eV

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

         1       -689.3121255            0.019784            T
         2       -689.1868324            1.129923            F
         3       -688.7850175            1.059768            F
         4       -689.1868338            1.130622            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.460724           -0.063223      0.000446
         3          -4.465752           -0.058195      0.000439
         4          -4.460489           -0.063458      0.000457
         5          -4.504008           -0.019939      0.000000

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

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

     tcpu =     87.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     99.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    111.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.353652 eV
     activation energy (<-) =   0.353651 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3471480            0.517495            F
         3       -688.9584734            0.909497            F
         4       -689.3472097            0.517224            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.298270           -0.225677     -0.001464
         3          -4.386657           -0.137290      0.002197
         4          -4.298518           -0.225429     -0.001460
         5          -4.504008           -0.019939      0.000000

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

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

     tcpu =    123.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    136.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    148.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.207002 eV
     activation energy (<-) =   0.207001 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3565780            0.495213            F
         3       -689.1051230            0.715194            F
         4       -689.3564616            0.496094            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.270652           -0.253295      0.001189
         3          -4.223597           -0.300350     -0.000854
         4          -4.270506           -0.253441      0.001208
         5          -4.504008           -0.019939      0.000000

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

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

     tcpu =    161.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    168.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    176.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.224038 eV
     activation energy (<-) =   0.224037 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3705267            0.282927            F
         3       -689.0880878            0.741425            F
         4       -689.3704704            0.284246            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.116345           -0.407602     -0.006462
         3          -4.363760           -0.160187      0.004766
         4          -4.116417           -0.407530     -0.006448
         5          -4.504008           -0.019939      0.000000

     path length          =  7.873 bohr
     inter-image distance =  1.968 bohr

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

     tcpu =    183.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    190.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    196.4    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.213074 eV
     activation energy (<-) =   0.213073 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3679350            0.324533            F
         3       -689.0990511            0.727419            F
         4       -689.3678708            0.325814            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.391274           -0.132673      0.005851
         3          -4.470357           -0.053590      0.009605
         4          -4.391494           -0.132453      0.005863
         5          -4.504008           -0.019939      0.000000

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

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

     tcpu =    203.1    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    209.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    216.0    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.205030 eV
     activation energy (<-) =   0.205029 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3692399            0.305603            F
         3       -689.1070952            0.715523            F
         4       -689.3691853            0.306777            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.486927           -0.037020      0.009859
         3          -4.497065           -0.026882      0.011224
         4          -4.487042           -0.036905      0.009864
         5          -4.504008           -0.019939      0.000000

     path length          =  7.876 bohr
     inter-image distance =  1.969 bohr

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

     tcpu =    222.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    232.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    244.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.079209 eV
     activation energy (<-) =   0.079208 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3732139            0.470992            F
         3       -689.2329165            0.409006            F
         4       -689.3731946            0.471439            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.562851            0.038904      0.010977
         3          -4.433322           -0.090625      0.012036
         4          -4.562088            0.038141      0.010979
         5          -4.504008           -0.019939      0.000000

     path length          =  7.970 bohr
     inter-image distance =  1.993 bohr

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

     tcpu =    254.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    258.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    264.6    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.082171 eV
     activation energy (<-) =   0.082170 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3737893            0.398709            F
         3       -689.2299544            0.417658            F
         4       -689.3737826            0.399106            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.542134            0.018187      0.010404
         3          -4.410572           -0.113375      0.010882
         4          -4.542588            0.018641      0.010412
         5          -4.504008           -0.019939      0.000000

     path length          =  7.963 bohr
     inter-image distance =  1.991 bohr

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

     tcpu =    269.4    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    275.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    280.4    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.074805 eV
     activation energy (<-) =   0.074804 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3734035            0.423781            F
         3       -689.2373207            0.398113            F
         4       -689.3733817            0.424390            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.535371            0.011424      0.009901
         3          -4.481649           -0.042298      0.014307
         4          -4.534663            0.010716      0.009870
         5          -4.504008           -0.019939      0.000000

     path length          =  7.981 bohr
     inter-image distance =  1.995 bohr

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

     tcpu =    286.1    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    290.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    296.6    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.070143 eV
     activation energy (<-) =   0.070142 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3740527            0.346983            F
         3       -689.2419823            0.381360            F
         4       -689.3740376            0.347212            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.521355           -0.002592      0.009556
         3          -4.506263           -0.017684      0.015584
         4          -4.521301           -0.002646      0.009547
         5          -4.504008           -0.019939      0.000000

     path length          =  7.993 bohr
     inter-image distance =  1.998 bohr

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

     tcpu =    301.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    309.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    324.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.026274 eV
     activation energy (<-) =   0.026273 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3719049            0.457619            F
         3       -689.2858512            0.043710            F
         4       -689.3718993            0.459295            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.493591           -0.030356      0.009620
         3          -4.485008           -0.038939      0.016119
         4          -4.493181           -0.030766      0.009611
         5          -4.504008           -0.019939      0.000000

     path length          =  8.342 bohr
     inter-image distance =  2.086 bohr

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

     tcpu =    333.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    340.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    350.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.037770 eV
     activation energy (<-) =   0.037769 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3760986            0.160028            F
         3       -689.2743554            0.192008            F
         4       -689.3760712            0.159874            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.505853           -0.018094      0.009550
         3          -4.474228           -0.049719      0.015140
         4          -4.505165           -0.018782      0.009541
         5          -4.504008           -0.019939      0.000000

     path length          =  8.155 bohr
     inter-image distance =  2.039 bohr

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

     tcpu =    357.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    362.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    368.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.035746 eV
     activation energy (<-) =   0.035745 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3764274            0.145954            F
         3       -689.2763792            0.187271            F
         4       -689.3764070            0.146325            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.502718           -0.021229      0.009447
         3          -4.505250           -0.018697      0.016642
         4          -4.502695           -0.021252      0.009431
         5          -4.504008           -0.019939      0.000000

     path length          =  8.169 bohr
     inter-image distance =  2.042 bohr

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

     tcpu =    373.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    377.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    380.6    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.035428 eV
     activation energy (<-) =   0.035427 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3769349            0.142654            F
         3       -689.2766974            0.179667            F
         4       -689.3769189            0.142717            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.517109           -0.006838      0.010088
         3          -4.521186           -0.002761      0.017207
         4          -4.517089           -0.006858      0.010073
         5          -4.504008           -0.019939      0.000000

     path length          =  8.168 bohr
     inter-image distance =  2.042 bohr

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

     tcpu =    384.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    389.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    395.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.034152 eV
     activation energy (<-) =   0.034151 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3783627            0.113834            F
         3       -689.2779733            0.169545            F
         4       -689.3783357            0.113085            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.518515           -0.005432      0.010295
         3          -4.519050           -0.004897      0.017290
         4          -4.515264           -0.008683      0.010280
         5          -4.504008           -0.019939      0.000000

     path length          =  8.175 bohr
     inter-image distance =  2.044 bohr

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

     tcpu =    401.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    406.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    411.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.031974 eV
     activation energy (<-) =   0.031973 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3788126            0.065035            F
         3       -689.2801517            0.146143            F
         4       -689.3787071            0.065467            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.513943           -0.010004      0.010459
         3          -4.512468           -0.011479      0.017142
         4          -4.503956           -0.019991      0.010018
         5          -4.504008           -0.019939      0.000000

     path length          =  8.192 bohr
     inter-image distance =  2.048 bohr

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

     tcpu =    416.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    419.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    424.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.031720 eV
     activation energy (<-) =   0.031719 eV

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

         1       -689.3121255            0.019784            T
         2       -689.4054632            0.060908            F
         3       -689.2804053            0.140707            F
         4       -689.4061553            0.061250            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.508824           -0.015123      0.010157
         3          -4.518374           -0.005573      0.017400
         4          -4.519147           -0.004800      0.010481
         5          -4.504008           -0.019939      0.000000

     path length          =  8.193 bohr
     inter-image distance =  2.048 bohr

     broyden uphill step : history is reset


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

     tcpu =    427.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    430.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    434.4    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.031516 eV
     activation energy (<-) =   0.031515 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3789703            0.055925            F
         3       -689.2806092            0.143303            F
         4       -689.3789704            0.056944            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.518183           -0.005764      0.010613
         3          -4.520017           -0.003929      0.017568
         4          -4.518749           -0.005198      0.010626
         5          -4.504008           -0.019939      0.000000

     path length          =  8.196 bohr
     inter-image distance =  2.049 bohr

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

     tcpu =    437.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    444.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    455.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.026168 eV
     activation energy (<-) =   0.026167 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3806880            0.100993            F
         3       -689.2859578            0.059441            F
         4       -689.3806465            0.104491            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.509681           -0.014266      0.010787
         3          -4.518255           -0.005692      0.017687
         4          -4.503075           -0.020872      0.010469
         5          -4.504008           -0.019939      0.000000

     path length          =  8.288 bohr
     inter-image distance =  2.072 bohr

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

     tcpu =    463.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    468.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    473.4    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.027494 eV
     activation energy (<-) =   0.027493 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3800615            0.041135            F
         3       -689.2846312            0.082491            F
         4       -689.3801351            0.043412            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.508943           -0.015004      0.010495
         3          -4.517742           -0.006205      0.017515
         4          -4.514048           -0.009899      0.010678
         5          -4.504008           -0.019939      0.000000

     path length          =  8.257 bohr
     inter-image distance =  2.064 bohr

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

     tcpu =    478.1    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    481.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    485.4    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.027368 eV
     activation energy (<-) =   0.027367 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3801552            0.037827            F
         3       -689.2847575            0.079470            F
         4       -689.3801571            0.039530            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.519055           -0.004892      0.010949
         3          -4.519679           -0.004268      0.017703
         4          -4.517381           -0.006566      0.010867
         5          -4.504008           -0.019939      0.000000

     path length          =  8.259 bohr
     inter-image distance =  2.065 bohr

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

     tcpu =    488.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    491.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    495.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.027110 eV
     activation energy (<-) =   0.027109 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3991952            0.036318            F
         3       -689.2850157            0.081613            F
         4       -689.3996458            0.037975            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.525427            0.001480      0.011096
         3          -4.525731            0.001784      0.017832
         4          -4.524618            0.000671      0.011065
         5          -4.504008           -0.019939      0.000000

     path length          =  8.262 bohr
     inter-image distance =  2.065 bohr

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

     tcpu =    498.5    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    501.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    503.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.000001 eV
     activation energy (<-) =   0.000000 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3801571            0.029481            F
         3       -689.4017644            0.087644            F
         4       -689.3801683            0.031004            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.522578           -0.001369      0.011062
         3          -4.526340            0.002393      0.017794
         4          -4.521822           -0.002125      0.011047
         5          -4.504008           -0.019939      0.000000

     path length          =  8.265 bohr
     inter-image distance =  2.066 bohr

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

     tcpu =    506.7    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    510.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    516.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.026642 eV
     activation energy (<-) =   0.026641 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3800737            0.017401            F
         3       -689.2854831            0.069147            F
         4       -689.3800923            0.018278            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.520104           -0.003843      0.011079
         3          -4.523892           -0.000055      0.017866
         4          -4.520261           -0.003686      0.011061
         5          -4.504008           -0.019939      0.000000

     path length          =  8.273 bohr
     inter-image distance =  2.068 bohr

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

     tcpu =    519.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    523.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    528.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.025941 eV
     activation energy (<-) =   0.025940 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3798789            0.012540            F
         3       -689.2861850            0.052995            F
         4       -689.3799089            0.013333            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.517720           -0.006227      0.011053
         3          -4.523387           -0.000560      0.017864
         4          -4.519485           -0.004462      0.011028
         5          -4.504008           -0.019939      0.000000

     path length          =  8.291 bohr
     inter-image distance =  2.073 bohr

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

     tcpu =    533.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    540.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    562.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.070479 eV
     activation energy (<-) =   0.070478 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3662822            0.806188            F
         3       -689.2416468            0.310673            F
         4       -689.3634375            0.835235            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.512024           -0.011923      0.011120
         3          -4.567571            0.043624      0.017866
         4          -4.513788           -0.010159      0.011163
         5          -4.504008           -0.019939      0.000000

     path length          =  8.867 bohr
     inter-image distance =  2.217 bohr

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

     tcpu =    570.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    576.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    598.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.024568 eV
     activation energy (<-) =   0.024567 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3793791            0.097950            F
         3       -689.2875572            0.001828            F
         4       -689.3792890            0.100188            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.520382           -0.003565      0.010980
         3          -4.526021            0.002074      0.017864
         4          -4.517776           -0.006171      0.010922
         5          -4.504008           -0.019939      0.000000

     path length          =  8.354 bohr
     inter-image distance =  2.089 bohr

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

     tcpu =    606.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    609.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    615.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.024748 eV
     activation energy (<-) =   0.024747 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3795496            0.074664            F
         3       -689.2873777            0.007022            F
         4       -689.3794675            0.077478            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.516621           -0.007326      0.010920
         3          -4.522582           -0.001365      0.017864
         4          -4.513481           -0.010466      0.010736
         5          -4.504008           -0.019939      0.000000

     path length          =  8.345 bohr
     inter-image distance =  2.086 bohr

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

     tcpu =    619.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    622.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    625.6    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.076374 eV
     activation energy (<-) =   0.076373 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3797027            0.062875            F
         3       -689.2357518            0.002666            F
         4       -689.3796895            0.064913            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.519115           -0.004832      0.011036
         3          -4.518673           -0.005274      0.017864
         4          -4.520918           -0.003029      0.011052
         5          -4.504008           -0.019939      0.000000

     path length          =  8.343 bohr
     inter-image distance =  2.086 bohr

     ------------------------------ iteration  31 ------------------------------

     tcpu =    628.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    632.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    635.0    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.024791 eV
     activation energy (<-) =   0.024789 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3798692            0.050507            F
         3       -689.2873350            0.008981            F
         4       -689.3798374            0.051870            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.521330           -0.002617      0.011182
         3          -4.521326           -0.002621      0.017864
         4          -4.520489           -0.003458      0.011144
         5          -4.504008           -0.019939      0.000000

     path length          =  8.345 bohr
     inter-image distance =  2.086 bohr

     ------------------------------ iteration  32 ------------------------------

     tcpu =    638.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    643.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    646.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.000001 eV
     activation energy (<-) =   0.000000 eV

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

         1       -689.3121255            0.019784            T
         2       -689.3807649            0.042525            F
         3       -689.3792618            0.015399            F
         4       -689.3807221            0.044789            F
         5       -689.3121245            0.019154            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.504275           -0.019672      0.000000
         2          -4.522175           -0.001772      0.011261
         3          -4.524781            0.000834      0.017864
         4          -4.516983           -0.006963      0.011039
         5          -4.504008           -0.019939      0.000000

     path length          =  8.350 bohr
     inter-image distance =  2.088 bohr

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


     neb: convergence achieved in  32 iterations

     NEB          : 13m 4.66s CPU    10m51.01s WALL


   This run was terminated on:  20:13: 4  26Aug2017            

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