Hi,<div><br></div><div>I'm wondering is spin-orbit coupling available now in version cp2k/2022.1?</div><div><br></div><div>Regards,</div><div>Hongyang<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2019年11月18日星期一 UTC+11 19:36:28<jgh> 写道：<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hi
<br>
<br>there is no spin-orbit coupling in CP2K (also in newer versions).
<br>
<br>regards
<br>
<br>Juerg Hutter
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<br>-----<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> wrote: -----
<br>To: "cp2k" <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>>
<br>From: "Jiajia Yang" <<a href data-email-masked rel="nofollow">1840490...@gmail.com</a>>
<br>Sent by: <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>
<br>Date: 11/16/2019 09:16AM
<br>Subject: [CP2K:12498] Spin Orbit Coupling  & CP2K 5.1
<br>
<br>Hello everyone, 
<br>        I want to calculate spin-orbit coupling, but I don't find the related parameters. I want to know can cp2k 5.1 calculate spin orbit coupling and how to calculate SOC with CP2K 5.1?
<br>        Thanks!
<br> 
<br>
<br>        Jiajia Yang
<br>        2019.11.16
<br>
<br>  
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