<div dir="ltr">Dear Vladimir.<div><br></div><div>Thank you very much for your reply.</div><div>However, when I follow the exercise"<a href="https://www.cp2k.org/exercises:2016_summer_school:aimd">AbMD of bulk water</a>", the output xyz format trajectory can show the periodic along xyz. So I don't know what is happening.</div><div><br></div><div>Thank you </div><div>Best regards</div><div><br></div><div>Liyi</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Vladimir Rybkin <<a href="mailto:rybk...@gmail.com">rybk...@gmail.com</a>> 于2019年12月12日周四下午10:25写道：<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">Dear Liyi Bai,<div><br></div><div>the .xyz files are unwrapped. And they should not look periodic as they represent only one (unit) cell. So, there's no problem.</div><div><br></div><div>Yours,</div><div><br></div><div>Vladimir</div><div><br>четверг, 12 декабря 2019 г., 11:51:08 UTC+1 пользователь lizzy bai написал:<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">Dear Users,<div><br></div><div>I am new to CP2K.</div><div>Now I am simulating the water-air system using AIMD.</div><div>In my input file, I set the keywords below. However, the output trajectory not periodic in any directions.</div><div><br></div><div><br></div><div><div> &POISSON</div><div> PERIODIC XYZ </div><div> &END</div></div><div><br></div><div>Does anyone know how to solve this problem? Thank you very much for any suggestion in advance.</div><div><br></div><div>Best Wishes</div><div><br></div><div>Liyi Bai</div></div></blockquote></div></div> <p></p> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/bed75c8c-fa5c-4805-a3c6-0e21c726a7b9%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/bed75c8c-fa5c-4805-a3c6-0e21c726a7b9%40googlegroups.com</a>.<br> </blockquote></div>