[CP2K-user] [CP2K:19364] what is the physical meaning of cutoff and rel_cutoff

Penghchao Zhang pczhang1997 at gmail.com
Sat Oct 14 03:33:18 UTC 2023


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!

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