[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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