Dear CP2K group, The way I see it, cutoff is for charge and rel_cutoff is for orbitals. Do you think this is correct? Or could you please explain more about the physical meaning of cutoff and rel_cutoff, do they just have a numerical meaning? (as shown in https://www.cp2k.org/howto:converging_cutoff#converging_rel_cutoff) Thanks in advance! -- 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/0e170dcd-1b73-41c2-8ae3-6383e4150f4fn%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/0e170dcd-1b73-41c2-8ae3-6383e4150f4fn%40googlegroups.com</a>.