Dear CP2K Developers,<div><br /></div><div>It is not clear to me if GEN2-xTB is implemented in CP2K.</div><div>Would you please clarify?</div><div>The CP2K 2020 paper </div><div>https://aip.scitation.org/doi/10.1063/5.0007045<br /></div><div>suggest it was implemented, but I do not find information in the Manual how to setup such calculations.</div><div><br /></div><div>Thank you,</div><div>Slava<br /><br /></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, June 28, 2022 at 6:05:55 PM UTC-4 Anna Hehn 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;"><div dir="ltr">Dear Joe,<div><br></div><div>others already asked if there are plans to add GFN2-xTB in CP2K, referring to own intentions to go for the implementation. </div><div>I am not up to date with the current status, but if you would also like to implement GFN2-xTB, I can give you the contact details so that you can get in touch and communicate.</div><div><br></div><div>Best regards,</div><div><br></div><div>Anna</div></div><br><div class="gmail_quote"></div><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Am Mo., 27. Juni 2022 um 18:50 Uhr schrieb <a href data-email-masked rel="nofollow">mdsimula...@gmail.com</a> <<a href data-email-masked rel="nofollow">mdsimula...@gmail.com</a>>:<br></div></div><div class="gmail_quote"><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">Hello,<div><br></div><div>Is there any plans to add GEN2-xTB to CP2K?</div><div><br></div><div><a href="https://pubs.acs.org/doi/10.1021/acs.jctc.8b01176" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://pubs.acs.org/doi/10.1021/acs.jctc.8b01176&source=gmail&ust=1676576315746000&usg=AOvVaw3b0W1omCjCGSbubNWveFOC">https://pubs.acs.org/doi/10.1021/acs.jctc.8b01176</a><br></div><div><br></div><div>Thanks,</div><div>Joe</div>

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