<div>Dear Matthias, Noam, </div><div><br></div><div>Thanks a lot for your response and directions.<br></div><div><br></div><div>Robert<br></div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Sunday, May 15, 2022 at 11:15:57 AM UTC-4 Noam Bernstein 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><div><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/KPOINTS.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/KPOINTS.html&source=gmail&ust=1652757196210000&usg=AOvVaw2AQPCXCokjso-DwoiChJhu">https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/KPOINTS.html</a></div><br></div><div><div><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/SCF/SMEAR.html" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/SCF/SMEAR.html&source=gmail&ust=1652757196211000&usg=AOvVaw2_xH99_zfmmQsWY6-dA46i">https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/SCF/SMEAR.html</a></div><br><div class="gmail_quote"></div></div><div><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, May 13, 2022 at 2:18 PM Robert <<a href data-email-masked rel="nofollow">bulmave...@gmail.com</a>> wrote:<br></div></div></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;padding-left:1ex;border-left-color:rgb(204,204,204)">Dear Cp2k community,<br><br>I am a newbie to cp2k and DFT. I have used VASP a little bit and now trying to get my head around cp2k. <br><br>In VASP, we would define something like smearing (ISMEAR) and k-points for our calculations, but the way a cp2k input file is set up, I don't see any reference to these two things. <br><br>Does cp2k have a default way of incorporating smearing and k-points, or is the code's implementation altogether different from VASP? or Is my understanding not complete for DFT?<br><br>I am talking w.r.t the attached cp2k input file that I use for single-point energy vs the INCAR we would use in VASP. I work in the space of zeolite chemistry.<br><br>I would like to hear some thoughts on this from the experts.<br><br>Thanks,<br>Robert

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