
     Program NEB v.6.1 (svn rev. 13369) starts on 26Aug2017 at 20:22: 7 

     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_fcp2.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           =   -4.0240 eV
     Fermi_thr                     =    0.0136 V

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

     tcpu =      0.0    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 =     23.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     36.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     48.3    self-consistency for image   5

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.538536 eV
     activation energy (<-) =   0.538538 eV

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

         1       -689.3175825            0.006427            T
         2       -689.1789158            1.140507            F
         3       -688.7790463            1.048407            F
         4       -689.1790100            1.141641            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -3.975833           -0.048118     -0.021744
         3          -3.978923           -0.045029     -0.021744
         4          -3.971732           -0.052219     -0.021744
         5          -4.010575           -0.013377     -0.021744

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

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

     tcpu =     59.1    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     64.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     69.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.527469 eV
     activation energy (<-) =   0.527471 eV

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

         1       -689.3175825            0.006427            T
         2       -689.1920463            1.115553            F
         3       -688.7901135            1.044113            F
         4       -689.1920709            1.117315            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -3.969557           -0.054395     -0.021390
         3          -3.979512           -0.044439     -0.021413
         4          -3.969112           -0.054840     -0.021360
         5          -4.010575           -0.013377     -0.021744

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

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

     tcpu =     75.4    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     87.6    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =     99.6    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.354800 eV
     activation energy (<-) =   0.354802 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3532952            0.504630            F
         3       -688.9627822            0.896796            F
         4       -689.3534527            0.503905            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -3.812858           -0.211094     -0.023034
         3          -3.885076           -0.138876     -0.020071
         4          -3.812984           -0.210967     -0.023017
         5          -4.010575           -0.013377     -0.021744

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

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

     tcpu =    111.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    125.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    137.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.207198 eV
     activation energy (<-) =   0.207200 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3617959            0.505279            F
         3       -689.1103846            0.701779            F
         4       -689.3614232            0.509897            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -3.768098           -0.255853     -0.020820
         3          -3.741415           -0.282537     -0.022045
         4          -3.771102           -0.252849     -0.020778
         5          -4.010575           -0.013377     -0.021744

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

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

     tcpu =    149.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    158.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    164.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.228916 eV
     activation energy (<-) =   0.228918 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3804876            0.268312            F
         3       -689.0886668            0.728543            F
         4       -689.3802587            0.271344            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -3.614449           -0.409503     -0.028549
         3          -3.846894           -0.177058     -0.018162
         4          -3.617567           -0.406384     -0.028416
         5          -4.010575           -0.013377     -0.021744

     path length          =  7.869 bohr
     inter-image distance =  1.967 bohr

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

     tcpu =    173.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    178.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    185.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.220066 eV
     activation energy (<-) =   0.220068 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3716524            0.308071            F
         3       -689.0975167            0.723584            F
         4       -689.3715048            0.312321            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -3.887398           -0.136554     -0.016178
         3          -3.959822           -0.064130     -0.012814
         4          -3.887349           -0.136602     -0.016140
         5          -4.010575           -0.013377     -0.021744

     path length          =  7.878 bohr
     inter-image distance =  1.969 bohr

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

     tcpu =    190.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    195.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    201.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.213290 eV
     activation energy (<-) =   0.213293 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3707273            0.300479            F
         3       -689.1042920            0.710701            F
         4       -689.3705413            0.304301            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -3.986516           -0.037435     -0.012053
         3          -3.995265           -0.028686     -0.010876
         4          -3.990534           -0.033418     -0.012014
         5          -4.010575           -0.013377     -0.021744

     path length          =  7.874 bohr
     inter-image distance =  1.968 bohr

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

     tcpu =    206.5    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    216.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    227.5    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.091189 eV
     activation energy (<-) =   0.091191 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3735938            0.441372            F
         3       -689.2263933            0.427051            F
         4       -689.3735475            0.442502            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.058307            0.034356     -0.010923
         3          -3.930097           -0.093854     -0.010010
         4          -4.059042            0.035090     -0.011004
         5          -4.010575           -0.013377     -0.021744

     path length          =  7.955 bohr
     inter-image distance =  1.989 bohr

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

     tcpu =    237.7    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    241.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    247.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.088258 eV
     activation energy (<-) =   0.088260 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3741370            0.404696            F
         3       -689.2293249            0.411077            F
         4       -689.3741137            0.405744            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.041599            0.017648     -0.011464
         3          -3.900199           -0.123752     -0.011258
         4          -4.041152            0.017201     -0.011521
         5          -4.010575           -0.013377     -0.021744

     path length          =  7.961 bohr
     inter-image distance =  1.990 bohr

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

     tcpu =    252.2    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 =    266.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.073068 eV
     activation energy (<-) =   0.073070 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3731893            0.464045            F
         3       -689.2445142            0.358794            F
         4       -689.3730176            0.465717            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.036609            0.012657     -0.011997
         3          -3.974841           -0.049110     -0.007519
         4          -4.042080            0.018129     -0.012019
         5          -4.010575           -0.013377     -0.021744

     path length          =  8.010 bohr
     inter-image distance =  2.002 bohr

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

     tcpu =    272.1    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    278.5    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    285.4    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.080548 eV
     activation energy (<-) =   0.080550 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3744155            0.389223            F
         3       -689.2370350            0.384766            F
         4       -689.3740943            0.389896            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.023661           -0.000291     -0.012379
         3          -4.012309           -0.011642     -0.006036
         4          -4.044818            0.020866     -0.011471
         5          -4.010575           -0.013377     -0.021744

     path length          =  7.985 bohr
     inter-image distance =  1.996 bohr

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

     tcpu =    291.8    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    296.6    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    301.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.074542 eV
     activation energy (<-) =   0.074544 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3746668            0.350788            F
         3       -689.2430407            0.361986            F
         4       -689.3745106            0.351456            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.022781           -0.001170     -0.012371
         3          -4.016711           -0.007240     -0.005684
         4          -4.029346            0.005394     -0.012101
         5          -4.010575           -0.013377     -0.021744

     path length          =  8.004 bohr
     inter-image distance =  2.001 bohr

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

     tcpu =    306.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    314.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    325.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.035266 eV
     activation energy (<-) =   0.035268 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3716672            0.287319            F
         3       -689.2823161            0.069718            F
         4       -689.3714464            0.288626            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.011085           -0.012867     -0.012382
         3          -3.980756           -0.043195     -0.005466
         4          -4.013903           -0.010048     -0.012264
         5          -4.010575           -0.013377     -0.021744

     path length          =  8.315 bohr
     inter-image distance =  2.079 bohr

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

     tcpu =    332.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    337.9    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    344.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.034346 eV
     activation energy (<-) =   0.034348 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3720625            0.273334            F
         3       -689.2832361            0.049049            F
         4       -689.3718236            0.274709            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.010594           -0.013357     -0.012369
         3          -3.976622           -0.047329     -0.005728
         4          -4.015789           -0.008163     -0.012158
         5          -4.010575           -0.013377     -0.021744

     path length          =  8.341 bohr
     inter-image distance =  2.085 bohr

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

     tcpu =    349.2    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    355.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    363.8    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.033297 eV
     activation energy (<-) =   0.033299 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3744566            0.203865            F
         3       -689.2842854            0.018450            F
         4       -689.3741110            0.204876            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -3.993402           -0.030549     -0.012712
         3          -4.009344           -0.014607     -0.004299
         4          -4.011517           -0.012434     -0.011912
         5          -4.010575           -0.013377     -0.021744

     path length          =  8.432 bohr
     inter-image distance =  2.108 bohr

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

     tcpu =    369.7    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    374.3    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    382.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.033699 eV
     activation energy (<-) =   0.033702 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3739033            0.232837            F
         3       -689.2838830            0.016644            F
         4       -689.3738274            0.233679            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.012648           -0.011304     -0.012104
         3          -4.020029           -0.003922     -0.003857
         4          -4.008094           -0.015858     -0.012287
         5          -4.010575           -0.013377     -0.021744

     path length          =  8.376 bohr
     inter-image distance =  2.094 bohr

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

     tcpu =    386.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    392.1    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    395.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.014479 eV
     activation energy (<-) =   0.014481 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3745976            0.225346            F
         3       -689.3031038            0.020511            F
         4       -689.3744899            0.226637            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.019666           -0.004285     -0.011762
         3          -4.025326            0.001374     -0.003739
         4          -4.018847           -0.005104     -0.011808
         5          -4.010575           -0.013377     -0.021744

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

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

     tcpu =    400.3    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    410.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    417.3    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.033348 eV
     activation energy (<-) =   0.033350 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3695991            0.277361            F
         3       -689.2842340            0.005453            F
         4       -689.3693550            0.276898            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -3.979496           -0.044456     -0.011633
         3          -4.018840           -0.005111     -0.003770
         4          -3.978892           -0.045060     -0.011654
         5          -4.010575           -0.013377     -0.021744

     path length          =  8.337 bohr
     inter-image distance =  2.084 bohr

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

     tcpu =    427.9    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    436.4    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    442.2    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.033482 eV
     activation energy (<-) =   0.033484 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3808638            0.012194            F
         3       -689.2841006            0.005637            F
         4       -689.3808829            0.013385            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.000213           -0.023738     -0.011776
         3          -4.021012           -0.002939     -0.003745
         4          -3.997918           -0.026034     -0.011828
         5          -4.010575           -0.013377     -0.021744

     path length          =  8.351 bohr
     inter-image distance =  2.088 bohr

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

     tcpu =    450.6    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    454.7    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    458.6    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.033472 eV
     activation energy (<-) =   0.033474 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3809131            0.001925            F
         3       -689.2841104            0.006144            F
         4       -689.3809423            0.002778            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -3.991409           -0.032542     -0.011940
         3          -4.021351           -0.002601     -0.003713
         4          -3.987921           -0.036030     -0.012066
         5          -4.010575           -0.013377     -0.021744

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

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

     tcpu =    463.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    466.0    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    469.1    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.033478 eV
     activation energy (<-) =   0.033480 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3807545            0.001773            F
         3       -689.2841044            0.005188            F
         4       -689.3806999            0.002868            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.004238           -0.019714     -0.011333
         3          -4.022758           -0.001194     -0.003634
         4          -4.007951           -0.016000     -0.011208
         5          -4.010575           -0.013377     -0.021744

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

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

     tcpu =    472.0    self-consistency for image   2

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    474.8    self-consistency for image   3

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     tcpu =    477.7    self-consistency for image   4

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     activation energy (->) =   0.033481 eV
     activation energy (<-) =   0.033483 eV

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

         1       -689.3175825            0.006427            T
         2       -689.3805845            0.002747            F
         3       -689.2841014            0.006298            F
         4       -689.3818834            0.002485            F
         5       -689.3175845            0.006088            T

     image  Fermi energy (eV)           error (V)    tot_charge

         1          -4.010832           -0.013119     -0.021744
         2          -4.019203           -0.004749     -0.010738
         3          -4.023592           -0.000360     -0.003598
         4          -4.022348           -0.001603     -0.010725
         5          -4.010575           -0.013377     -0.021744

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

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


     neb: convergence achieved in  22 iterations

     NEB          :  9m42.18s CPU     7m59.95s WALL


   This run was terminated on:  20:30: 7  26Aug2017            

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