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

Nicholas Winner nwinner at berkeley.edu
Tue Dec 13 22:47:37 UTC 2022

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?


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 cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/cfbee009-eff0-4db2-9f31-630f1242958cn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221213/8904dcf8/attachment.htm>

More information about the CP2K-user mailing list