<div dir="ltr">Hi folks,<div><br></div><div>Having issues with an error I can seem to resolve. I have adapted a restart file to run a new cell_opt job with a different basis-set/potential. As the subject indicates, I receive an error. I have tried numerous variations (changing basis, simplifying my level of theory etc) to no avail. Would anyone know why this is happening?</div><div><br></div><div>




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<p class="p1"><span class="s1">*******************************************************************************</span></p>
<p class="p1"><span class="s1"><span class="Apple-converted-space"> </span>* <span class="Apple-converted-space">  </span>___ <span class="Apple-converted-space">                                                                      </span>*</span></p>
<p class="p1"><span class="s1"><span class="Apple-converted-space"> </span>*<span class="Apple-converted-space">  </span>/ <span class="Apple-converted-space">  </span>\<span class="Apple-converted-space">                                                                      </span>*</span></p>
<p class="p1"><span class="s1"><span class="Apple-converted-space"> </span>* [ABORT] <span class="Apple-converted-space">                                                                    </span>*</span></p>
<p class="p1"><span class="s1"><span class="Apple-converted-space"> </span>*<span class="Apple-converted-space">  </span>\___/ <span class="Apple-converted-space">  </span>No neighbor list set is associated. Did you specify *all* required *</span></p>
<p class="p1"><span class="s1"><span class="Apple-converted-space"> </span>*<span class="Apple-converted-space">    </span>|<span class="Apple-converted-space">                          </span>basis-sets, eg. for ADMM? <span class="Apple-converted-space">                    </span>*</span></p>
<p class="p1"><span class="s1"><span class="Apple-converted-space"> </span>*<span class="Apple-converted-space">  </span>O/|<span class="Apple-converted-space">                                                                        </span>*</span></p>
<p class="p1"><span class="s1"><span class="Apple-converted-space"> </span>* /| |<span class="Apple-converted-space">                                                                        </span>*</span></p>
<p class="p1"><span class="s1"><span class="Apple-converted-space"> </span>* / \ <span class="Apple-converted-space">                                          </span>qs_neighbor_list_types.F:1033 *</span></p>
<p class="p1"><span class="s1"><span class="Apple-converted-space"> </span>*******************************************************************************</span></p></div><div><br></div><div>Cheers,</div><div>Fergus</div><div><br></div><div><br></div></div>