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<p class="MsoNormal"><span lang="EN-US">Dear QE users,</span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">When I restart a neb.x with same setting, a error will occur:</span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> string_method = neb</span></p>
<p class="MsoNormal"><span lang="EN-US"> restart_mode = restart</span></p>
<p class="MsoNormal"><span lang="EN-US"> opt_scheme = broyden</span></p>
<p class="MsoNormal"><span lang="EN-US"> num_of_images = 10</span></p>
<p class="MsoNormal"><span lang="EN-US"> nstep_path = 300</span></p>
<p class="MsoNormal"><span lang="EN-US"> CI_scheme = no-CI</span></p>
<p class="MsoNormal"><span lang="EN-US"> first_last_opt = F</span></p>
<p class="MsoNormal"><span lang="EN-US"> use_freezing = F</span></p>
<p class="MsoNormal"><span lang="EN-US"> ds = 1.0000 a.u.</span></p>
<p class="MsoNormal"><span lang="EN-US"> k_max = 0.1000 a.u.</span></p>
<p class="MsoNormal"><span lang="EN-US"> k_min = 0.1000 a.u.</span></p>
<p class="MsoNormal"><span lang="EN-US"> suggested k_max = 0.6169 a.u.</span></p>
<p class="MsoNormal"><span lang="EN-US"> suggested k_min = 0.6169 a.u.</span></p>
<p class="MsoNormal"><span lang="EN-US"> path_thr = 0.0500 eV / A</span></p>
<p class="MsoNormal"><span lang="EN-US">laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> activation energy (->) = 0.000000 eV</span></p>
<p class="MsoNormal"><span lang="EN-US"> activation energy (<-) = 0.652599 eV</span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> image energy (eV) error (eV/A) frozen</span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> 1 -24663.0803150 0.000000 F</span></p>
<p class="MsoNormal"><span lang="EN-US"> 2 -24662.7936265 0.000000 F</span></p>
<p class="MsoNormal"><span lang="EN-US"> 3 -24663.5091350 0.000000 F</span></p>
<p class="MsoNormal"><span lang="EN-US"> 4 -24663.4179153 0.000000 F</span></p>
<p class="MsoNormal"><span lang="EN-US"> 5 -24663.5744696 0.000000 F</span></p>
<p class="MsoNormal"><span lang="EN-US"> 6 -24663.4746113 0.000000 F</span></p>
<p class="MsoNormal"><span lang="EN-US"> 7 -24663.4750253 0.000000 F</span></p>
<p class="MsoNormal"><span lang="EN-US"> 8 -24663.3361718 0.000000 F</span></p>
<p class="MsoNormal"><span lang="EN-US"> 9 -24663.5778512 0.000000 F</span></p>
<p class="MsoNormal"><span lang="EN-US"> 10 -24663.7329142 0.000000 F</span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> path length = 47.003 bohr</span></p>
<p class="MsoNormal"><span lang="EN-US"> inter-image distance = 5.223 bohr</span></p>
<p class="MsoNormal"><span lang="EN-US">laxlib_end: laxlib was not initialized </span>
</p>
<p class="MsoNormal"><span lang="EN-US"> </span></p>
<p class="MsoNormal"><span lang="EN-US"> NEB : 0.32s CPU 3.66s WALL</span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"></span></p>
<p class="MsoNormal"><span lang="EN-US"> This run was terminated on: 11:27:12 19Feb2024
</span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">Thanks!</span></p>
<p class="MsoNormal"><span lang="EN-US">Best regards,</span></p>
<p class="MsoNormal"><span lang="EN-US">LIANG Xiongyi</span></p>
<p class="MsoNormal"><span lang="EN-US">Department of Materials Science and Engineering</span></p>
<p class="MsoNormal"><span lang="EN-US">City University of Hong Kong</span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
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