<div dir="ltr"><div><div><div>Dear Andreas, <br><br></div>Unfortunately, <span class="Asgive ng" style="border-style:none;background:none">the computation of PDOS is not available</span> at the<span class="Asgive ng" style="border-style:none;background:none"> moment with SOC;</span> the PDOS column will contain only zeros.<br><br></div>Best, <br></div>Bibek</div><br><div class="gmail_quote gmail_quote_container"><div dir="ltr" class="gmail_attr">On Fri, May 29, 2026 at 4:20 PM <a href="mailto:oandr...@gmail.com">oandr...@gmail.com</a> <<a href="mailto:oandresg15@gmail.com">oandresg15@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Dear Community, <div><br></div><div>I was wondering if is possible to compute the PDOS , with PBE0-TC-LRC while including spin orbit coupling?</div><div><br></div><div>Using the GTH_SOC_POTENTIAL is enough? </div><div><br></div><div>best</div><div><br></div><div>Andres Ortega-Guerrero</div>

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