
     Program NEB v.6.1 (svn rev. 13369) starts on 26Aug2017 at 20:13: 4 

     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_fcp1.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           =   -5.0239 eV
     Fermi_thr                     =    0.0136 V

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

     tcpu =      0.0    self-consistency for image   1
     tcpu =     10.5    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     23.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     35.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     48.1    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.538615 eV
     activation energy (<-) =   0.538828 eV

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

         1       -689.3174848            0.031966            T
         2       -689.1787065            1.169271            F
         3       -688.7788696            1.080972            F
         4       -689.1787923            1.169426            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -4.955136           -0.068806      0.021865
         3          -4.958921           -0.065021      0.021975
         4          -4.959283           -0.064660      0.022085
         5          -5.011804           -0.012139      0.022195

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

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

     tcpu =     57.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     63.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     68.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.526801 eV
     activation energy (<-) =   0.527014 eV

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

         1       -689.3174848            0.031966            T
         2       -689.1924120            1.146209            F
         3       -688.7906838            1.074644            F
         4       -689.1925090            1.146207            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -4.956056           -0.067886      0.022371
         3          -4.961138           -0.062805      0.022453
         4          -4.960343           -0.063600      0.022560
         5          -5.011804           -0.012139      0.022195

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

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

     tcpu =     73.7    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     85.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     97.0    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.352374 eV
     activation energy (<-) =   0.352588 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3537815            0.529251            F
         3       -688.9651103            0.924400            F
         4       -689.3538527            0.528533            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -4.891990           -0.131953      0.024421
         3          -4.892570           -0.131372      0.024350
         4          -4.894945           -0.128998      0.024481
         5          -5.011804           -0.012139      0.022195

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

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

     tcpu =    108.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    120.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    130.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.207575 eV
     activation energy (<-) =   0.207788 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3610949            0.492339            F
         3       -689.1099096            0.722628            F
         4       -689.3612502            0.491436            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -4.715116           -0.308826      0.020435
         3          -4.715353           -0.308590      0.020715
         4          -4.722501           -0.301442      0.020692
         5          -5.011804           -0.012139      0.022195

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

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

     tcpu =    143.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    151.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    158.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.220109 eV
     activation energy (<-) =   0.220323 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3778870            0.278575            F
         3       -689.0973754            0.750283            F
         4       -689.3778658            0.278398            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -4.890864           -0.133078      0.027395
         3          -4.876508           -0.147434      0.027045
         4          -4.889829           -0.134114      0.027316
         5          -5.011804           -0.012139      0.022195

     path length          =  7.875 bohr
     inter-image distance =  1.969 bohr

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

     tcpu =    166.4    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    171.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    178.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.206534 eV
     activation energy (<-) =   0.206747 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3777221            0.326368            F
         3       -689.1109511            0.736931            F
         4       -689.3777042            0.328108            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -4.978902           -0.045041      0.031415
         3          -4.970643           -0.053299      0.031499
         4          -4.978299           -0.045643      0.031368
         5          -5.011804           -0.012139      0.022195

     path length          =  7.884 bohr
     inter-image distance =  1.971 bohr

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

     tcpu =    184.1    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    189.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    194.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.197793 eV
     activation energy (<-) =   0.198006 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3793931            0.315015            F
         3       -689.1196919            0.723279            F
         4       -689.3793801            0.314761            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.015200           -0.008742      0.032776
         3          -5.006428           -0.017514      0.033109
         4          -5.014563           -0.009379      0.032746
         5          -5.011804           -0.012139      0.022195

     path length          =  7.880 bohr
     inter-image distance =  1.970 bohr

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

     tcpu =    199.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    209.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    221.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.071431 eV
     activation energy (<-) =   0.071644 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3844472            0.472793            F
         3       -689.2460541            0.408462            F
         4       -689.3844418            0.472905            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.070379            0.046436      0.033040
         3          -4.932177           -0.091766      0.033638
         4          -5.070334            0.046391      0.033030
         5          -5.011804           -0.012139      0.022195

     path length          =  7.975 bohr
     inter-image distance =  1.994 bohr

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

     tcpu =    231.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    236.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    242.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.075787 eV
     activation energy (<-) =   0.076000 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3849683            0.392214            F
         3       -689.2416980            0.422564            F
         4       -689.3849457            0.392271            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.057880            0.033938      0.032818
         3          -4.923388           -0.100555      0.032984
         4          -5.057286            0.033344      0.032794
         5          -5.011804           -0.012139      0.022195

     path length          =  7.965 bohr
     inter-image distance =  1.991 bohr

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

     tcpu =    246.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    252.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    259.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.066815 eV
     activation energy (<-) =   0.067028 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3843791            0.418616            F
         3       -689.2506699            0.399607            F
         4       -689.3843571            0.418631            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.048285            0.024342      0.032214
         3          -4.990044           -0.033898      0.036021
         4          -5.047741            0.023799      0.032192
         5          -5.011804           -0.012139      0.022195

     path length          =  7.982 bohr
     inter-image distance =  1.996 bohr

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

     tcpu =    264.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    269.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    274.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.063270 eV
     activation energy (<-) =   0.063483 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3844360            0.353704            F
         3       -689.2542153            0.386233            F
         4       -689.3844303            0.353706            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.025950            0.002008      0.031479
         3          -5.013851           -0.010092      0.037045
         4          -5.025951            0.002008      0.031473
         5          -5.011804           -0.012139      0.022195

     path length          =  7.990 bohr
     inter-image distance =  1.997 bohr

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

     tcpu =    279.5    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    287.6    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    299.0    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.023727 eV
     activation energy (<-) =   0.023940 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3858793            0.375107            F
         3       -689.2937577            0.136587            F
         4       -689.3858638            0.375413            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -4.997237           -0.026706      0.031418
         3          -4.982169           -0.041774      0.037350
         4          -4.996771           -0.027171      0.031412
         5          -5.011804           -0.012139      0.022195

     path length          =  8.223 bohr
     inter-image distance =  2.056 bohr

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

     tcpu =    307.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    313.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    323.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.034079 eV
     activation energy (<-) =   0.034292 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3874885            0.135663            F
         3       -689.2834058            0.231291            F
         4       -689.3874403            0.135510            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.011439           -0.012504      0.031475
         3          -4.985397           -0.038545      0.036948
         4          -5.009935           -0.014008      0.031469
         5          -5.011804           -0.012139      0.022195

     path length          =  8.120 bohr
     inter-image distance =  2.030 bohr

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

     tcpu =    330.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    335.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    341.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.033154 eV
     activation energy (<-) =   0.033367 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3877982            0.120764            F
         3       -689.2843311            0.215808            F
         4       -689.3877957            0.121020            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.009842           -0.014101      0.031524
         3          -4.954025           -0.069917      0.035784
         4          -5.009763           -0.014180      0.031529
         5          -5.011804           -0.012139      0.022195

     path length          =  8.134 bohr
     inter-image distance =  2.034 bohr

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

     tcpu =    346.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    350.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    353.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.031218 eV
     activation energy (<-) =   0.031431 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3876839            0.118934            F
         3       -689.2862669            0.222144            F
         4       -689.3876910            0.118829            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.000106           -0.023837      0.031098
         3          -5.010796           -0.013146      0.037896
         4          -5.000317           -0.023626      0.031101
         5          -5.011804           -0.012139      0.022195

     path length          =  8.132 bohr
     inter-image distance =  2.033 bohr

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

     tcpu =    357.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    361.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    367.0    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.030233 eV
     activation energy (<-) =   0.030446 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3885625            0.111179            F
         3       -689.2872516            0.210231            F
         4       -689.3885634            0.110778            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.014593           -0.009349      0.031818
         3          -5.015896           -0.008047      0.038293
         4          -5.014634           -0.009309      0.031814
         5          -5.011804           -0.012139      0.022195

     path length          =  8.137 bohr
     inter-image distance =  2.034 bohr

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

     tcpu =    371.1    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    376.2    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    382.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.026367 eV
     activation energy (<-) =   0.026580 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3891086            0.056512            F
         3       -689.2911181            0.177133            F
         4       -689.3891085            0.057407            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.014133           -0.009809      0.032101
         3          -5.016742           -0.007201      0.038536
         4          -5.014185           -0.009758      0.032095
         5          -5.011804           -0.012139      0.022195

     path length          =  8.161 bohr
     inter-image distance =  2.040 bohr

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

     tcpu =    387.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    391.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    397.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.025720 eV
     activation energy (<-) =   0.025934 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3888602            0.062858            F
         3       -689.2917644            0.173228            F
         4       -689.3888542            0.062965            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.007640           -0.016303      0.031805
         3          -5.020199           -0.003744      0.038754
         4          -5.007476           -0.016467      0.031801
         5          -5.011804           -0.012139      0.022195

     path length          =  8.166 bohr
     inter-image distance =  2.041 bohr

     broyden uphill step : history is reset


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

     tcpu =    401.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    405.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    410.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.025294 eV
     activation energy (<-) =   0.025507 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3893046            0.057713            F
         3       -689.2921912            0.168430            F
         4       -689.3893040            0.057886            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.019394           -0.004548      0.032297
         3          -5.024120            0.000178      0.038867
         4          -5.019425           -0.004518      0.032298
         5          -5.011804           -0.012139      0.022195

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

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

     tcpu =    414.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    419.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    426.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.020200 eV
     activation energy (<-) =   0.020413 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3905452            0.037424            F
         3       -689.2972849            0.107791            F
         4       -689.3905520            0.037838            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.015722           -0.008221      0.032434
         3          -5.018744           -0.005199      0.038862
         4          -5.015840           -0.008102      0.032435
         5          -5.011804           -0.012139      0.022195

     path length          =  8.232 bohr
     inter-image distance =  2.058 bohr

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

     tcpu =    431.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    436.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    442.6    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.019358 eV
     activation energy (<-) =   0.019572 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3906331            0.051856            F
         3       -689.2981265            0.092641            F
         4       -689.3906403            0.052275            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.010676           -0.013266      0.032186
         3          -5.014923           -0.009020      0.038867
         4          -5.010796           -0.013147      0.032190
         5          -5.011804           -0.012139      0.022195

     path length          =  8.249 bohr
     inter-image distance =  2.062 bohr

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

     tcpu =    447.7    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    450.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    455.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.018872 eV
     activation energy (<-) =   0.019085 eV

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

         1       -689.3174848            0.031966            T
         2       -689.4308038            0.050104            F
         3       -689.2986132            0.082848            F
         4       -689.4308471            0.050507            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.021659           -0.002284      0.032587
         3          -5.018784           -0.005159      0.038855
         4          -5.021623           -0.002320      0.032587
         5          -5.011804           -0.012139      0.022195

     path length          =  8.256 bohr
     inter-image distance =  2.064 bohr

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

     tcpu =    458.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    461.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    467.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.018441 eV
     activation energy (<-) =   0.018654 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3908150            0.038300            F
         3       -689.2990439            0.075993            F
         4       -689.3908182            0.038591            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.016643           -0.007299      0.032656
         3          -5.016570           -0.007373      0.038839
         4          -5.016661           -0.007281      0.032657
         5          -5.011804           -0.012139      0.022195

     path length          =  8.266 bohr
     inter-image distance =  2.067 bohr

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

     tcpu =    471.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    474.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    479.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.018130 eV
     activation energy (<-) =   0.018343 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3907307            0.028148            F
         3       -689.2993549            0.069071            F
         4       -689.3907271            0.028437            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.015877           -0.008065      0.032555
         3          -5.018656           -0.005287      0.038891
         4          -5.015703           -0.008240      0.032554
         5          -5.011804           -0.012139      0.022195

     path length          =  8.271 bohr
     inter-image distance =  2.068 bohr

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

     tcpu =    482.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    487.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    495.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.016691 eV
     activation energy (<-) =   0.016904 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3903660            0.057499            F
         3       -689.3007940            0.033665            F
         4       -689.3903588            0.057947            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.023449           -0.000494      0.032799
         3          -5.017287           -0.006656      0.039023
         4          -5.023487           -0.000456      0.032803
         5          -5.011804           -0.012139      0.022195

     path length          =  8.316 bohr
     inter-image distance =  2.079 bohr

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

     tcpu =    499.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    504.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    511.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.016481 eV
     activation energy (<-) =   0.016694 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3899980            0.101055            F
         3       -689.3010040            0.007541            F
         4       -689.3899795            0.101843            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.022546           -0.001396      0.032814
         3          -5.010176           -0.013767      0.038822
         4          -5.022505           -0.001437      0.032817
         5          -5.011804           -0.012139      0.022195

     path length          =  8.346 bohr
     inter-image distance =  2.086 bohr

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

     tcpu =    515.4    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    518.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    524.9    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.016111 eV
     activation energy (<-) =   0.016324 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3902033            0.077030            F
         3       -689.3013741            0.013983            F
         4       -689.3901955            0.077633            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.021502           -0.002441      0.032791
         3          -5.022897           -0.001046      0.039212
         4          -5.021616           -0.002327      0.032797
         5          -5.011804           -0.012139      0.022195

     path length          =  8.335 bohr
     inter-image distance =  2.084 bohr

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

     tcpu =    528.5    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    532.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    538.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.016391 eV
     activation energy (<-) =   0.016604 eV

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

         1       -689.3174848            0.031966            T
         2       -689.3906707            0.032914            F
         3       -689.3010935            0.027728            F
         4       -689.3906713            0.033143            F
         5       -689.3176980            0.031467            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -5.000991           -0.022952      0.021755
         2          -5.023002           -0.000941      0.032845
         3          -5.023822           -0.000121      0.039243
         4          -5.023135           -0.000807      0.032849
         5          -5.011804           -0.012139      0.022195

     path length          =  8.319 bohr
     inter-image distance =  2.080 bohr

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


     neb: convergence achieved in  28 iterations

     NEB          : 10m54.33s CPU     9m 2.80s WALL


   This run was terminated on:  20:22: 7  26Aug2017            

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