<div dir="ltr"><span id="result_box" class="" lang="en"><span class="hps"></span></span><span id="result_box" class="" lang="en"><span class="hps">thank you</span> <span class="hps">sir</span> <span class="hps">for the answer</span> <br><span class="hps">I applied this</span> <span class="hps">on</span> <span class="hps">Zinc</span> as <span class="hps">you told me</span><span>, it is</span> <span class="hps">based on the</span> <span class="hps">test file</span> <span class="hps">dft_plus</span><span>-U</span> <span class="hps">and</span> <span class="hps">ORBITALS</span> <span class="hps">-2 -1 0 1</span> <span class="hps">2;<br>i cant run a smearing of the f-orbital occupations was enforced,<br>"</span></span>WARNING in dft_plus_u:mulliken :: DFT+U energy contibution ..."<br>-<span id="result_box" class="short_text" lang="en"><span class="hps">how I can</span> <span class="hps">solve my problem?<br></span></span><span lang="en"><span>My greetings</span></span><br></div>