<div dir="ltr"><span id="result_box" class="" lang="en"><span class="hps">thank you</span> <span class="hps">very much, Mr.</span> <span class="hps">Ralph</span> <span class="hps">for</span> your  <span class="hps">réponse.</span><span class="hps">then can</span> you  <span class="hps">tell</span> <span class="hps">me</span> <span class="hps">how to</span> <span class="hps">insert in input file the</span> <span class="hps atn">HOMO-</span><span class="">LUMO</span> <span class="hps">gap</span> <span class="hps">control</span> <span class="hps">in the</span> <span class="hps">OT</span> <span class="hps">section to calculate</span> <span class="hps">the value of</span> <span class="hps">the</span> <span class="hps">energy</span> <span class="hps">gap</span></span>.<br><br>Le mercredi 16 juillet 2014 23:51:24 UTC+2, celio angel a écrit :<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"> <span lang="en"><span>Dear all users CP2K</span><span>, I</span> <span>want to calculate</span> <span>the</span> <span>density</span> <span>of</span> <span>charge.how to insrt in input file<br>  greeting<br></span></span></div></blockquote></div>