Hi,<div><br></div><div>I suggest trying Multiwfn to generate the cp2k input file. This is much easier for beginners.</div><div><br></div><div>Regards,</div><div>Hongyang</div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2021年6月15日星期二 UTC+10 上午1:38:37...@gmail.com> 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;"><div dir="ltr">Thank you.<br></div><br><div class="gmail_quote"></div><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, 14 Jun 2021 at 18:26, Mostafa Abedi <<a href data-email-masked rel="nofollow">abe...@gmail.com</a>> wrote:<br></div></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Try this:</div><div><br></div><div>Paper:<br></div><div><a href="https://link.springer.com/article/10.1007/s00894-019-3987-6" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://link.springer.com/article/10.1007/s00894-019-3987-6&source=gmail&ust=1623801110771000&usg=AFQjCNFFoHHhZVrVTfMIq9-mKeB6mvE29Q">Graphical user interface for an easy and reliable construction of input files to CP2K</a></div><div><br></div><div>Code:</div><div><a href="https://github.com/avishart/CP2K_Editor" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://github.com/avishart/CP2K_Editor&source=gmail&ust=1623801110771000&usg=AFQjCNE_WRjG2ZtHaP1ZIgBD6BSQGHMA9w">https://github.com/avishart/CP2K_Editor</a></div><div><br></div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Jun 14, 2021 at 8:34 AM Nikhil Maroli <<a href data-email-masked rel="nofollow">sc...@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"><div dir="auto">Avogadro</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, 14 Jun 2021, 17:52 Upasana Nath, <<a href data-email-masked rel="nofollow">u...@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"><div dir="ltr"><div>Dear CP2K user.</div><div><br></div><div>I am a new user of cp2k and trying to do molecular Dynamics calculation of graphene. Can you please suggest to me how to proceed, and how to make the input file? is there any GUI or how?</div><div><br></div><div>Your kind response will be highly appreciated.</div><div><br></div><div>Thanks & Regards</div><div>Upasana<br></div></div>
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