<div dir="ltr"><span id="result_box" class="" lang="en"><span class="hps">Dear</span> <span class="hps">all users</span> <span class="hps">cp2k</span><span>.</span> <span class="hps">I want to add</span> <span class="hps">impurity atoms</span> <span class="hps">in the cell</span> <span class="hps">but the calcul</span> <span class="hps">stops</span> <span class="hps">and displays a</span> <span class="hps">erreur.my</span> <span class="hps">question is</span> <span class="hps">that</span>: <span class="hps">this option</span> <span class="hps">is valid in the</span> <span class="hps">cp2k</span> <span class="hps">if yes, how</span> <span class="hps">we can</span> <span class="hps">declare this</span> <span class="hps">atom.and thank you.<br></span></span></div>