[CP2K-user] [CP2K:18191] How to set multigrid cutoff for GAPW?

[Nicholas Winner]

I know there is a well defined way for setting CUTOFF in the multigrid for 
GPW. Following Lippert's paper 
(https://link.springer.com/article/10.1007/s002140050523), we can take the 
relative cutoff and multiply it by the maximum exponent in the basis set.

That seems like the wrong strategy for the all electron basis sets, which 
can have exponents over 10,000.

Is there a scheme for setting the cutoff in GAPW, and is there a reference 
like Lippert's paper that can help understand that scheme?

Thanks,
Nick


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