<div dir="ltr">xc section is missing?? try to look at the cp2k tutorials. they are sooo good and will put you on track. <div>for example look here (<a href="https://www.cp2k.org/howto">https://www.cp2k.org/howto</a>) It was very difficult at the beginning but with everyday training it gets easier </div><div><br><div> it should be something like that or similar </div><div>this is a very simple one. check if you need other functional or dispersion correction. </div><div><img src="cid:ii_lgzcpql12" alt="image.png" width="451" height="144"><br></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Apr 27, 2023 at 6:34 PM ABDELILAH AYAD <<a href="mailto:abdelilah.ayad@ump.ac.ma">abdelilah.ayad@ump.ac.ma</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"><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Le jeu. 27 avr. 2023 à 12:06, Lobna Saeed <<a href="mailto:lobna.saeed@gmail.com" target="_blank">lobna.saeed@gmail.com</a>> a écrit :<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">Hello, <div><br></div><div>it should be something like that </div><div><br></div><div><img src="cid:ii_lgz2w8ok1" alt="image.png" width="465" height="273"><br></div><div>Kind regards,</div><div>Lobna. </div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Apr 27, 2023 at 1:07 PM ABDELILAH AYAD <<a href="mailto:abdelilah.ayad@ump.ac.ma" target="_blank">abdelilah.ayad@ump.ac.ma</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">Hello to all <br>I have an error on cp2k codes for CLAYS "KAOLINITE" .<br><img alt="Capture d’écran 2023-04-27 110412.png" width="535px" height="283px" src="cid:aebadffe-2243-44ba-ba53-5f94d10ca997">

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