[CP2K-user] [CP2K:19270] Basis functions in quickstep and atomic codes

chaizi...@gmail.com chaiziwei2009 at gmail.com
Thu Sep 21 09:26:02 UTC 2023


Dear CP2K developers,

I would like to ask you how to compute the ratio of space integrals of a 
given basis function used in quickstep and atomic codes.

Many thanks in advance. 

Kind regards,
Ziwei

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