<div dir="ltr">Dear Zac Smith,<div><br></div><div>thank you for your interest in using the CP2K-NEWTONX interface! I will set up a tutorial on how to use the interface and put it on the CP2K homepage.</div><div><br></div><div>Kind regards,</div><div><br></div><div>Anna</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Am Mi., 16. Aug. 2023 um 20:20 Uhr schrieb Zac Smith <<a href="mailto:qingxinzhang6@gmail.com">qingxinzhang6@gmail.com</a>>:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;border-left-color:rgb(204,204,204);padding-left:1ex">Dear all, <br><div>It is possible to run adiabatic molecular dynamics using CP2K. But for high energy levels, very dense excited states, internal transitions must be considered. So CP2K combined with Newton-X to run non-adiabatic dynamics is a good way to calculate excited state dynamics of TDDFT. Do you know the instructions on how to use CP2K combined with Newton-X?<br></div>

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