Dear Cp2k community, I am a newbie to cp2k and DFT. I have used VASP a little bit and now trying to get my head around cp2k. 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. 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? 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. I would like to hear some thoughts on this from the experts. Thanks, Robert -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/c2d7f278-b593-417a-9b48-47772bc0914en%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/c2d7f278-b593-417a-9b48-47772bc0914en%40googlegroups.com</a>.