Dear  Jun-Bo, <br /><br />In short, the answer is yes. Please, look at this publication for further information "https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05851". <br /><br />Best wishes,<br />Reza<div class="gmail_quote"><div dir="auto" class="gmail_attr">On Friday, January 23, 2026 at 10:03:54 AM UTC+1 Junbo Lu wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Dear all,<div>  Does CP2K support the spin-orbit coupling calculation? I want to obtain the band structure of IrO2 solid with SOC.</div><div>  With my best regards,</div><div>  Jun-Bo</div></blockquote></div>

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