[QE-users] Error in restart of neb.x

[LIANG Xiongyi]

Dear QE users,

When I restart a neb.x with same setting, a error will occur:

     string_method                 =    neb
     restart_mode                  =    restart
     opt_scheme                    =    broyden
     num_of_images                 =    10
     nstep_path                    =    300
     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
laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized
 laxlib_end: laxlib was not initialized

     activation energy (->) =   0.000000 eV
     activation energy (<-) =   0.652599 eV

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

         1     -24663.0803150            0.000000            F
         2     -24662.7936265            0.000000            F
         3     -24663.5091350            0.000000            F
         4     -24663.4179153            0.000000            F
         5     -24663.5744696            0.000000            F
         6     -24663.4746113            0.000000            F
         7     -24663.4750253            0.000000            F
         8     -24663.3361718            0.000000            F
         9     -24663.5778512            0.000000            F
        10     -24663.7329142            0.000000            F

     path length          = 47.003 bohr
     inter-image distance =  5.223 bohr
laxlib_end: laxlib was not initialized

     NEB          :      0.32s CPU      3.66s WALL

   This run was terminated on:  11:27:12  19Feb2024


Thanks!
Best regards,
LIANG Xiongyi
Department of Materials Science and Engineering
City University of Hong Kong

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