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Dear cp2k users.
I am studying a system which consists of a Yb(III) doped YAG crystal. In particular I am analyzing the situation in which a Yb(III) cation replaces an octahedral Al(III).
I want to test pseudopotentials and norm-conserving 4f-in-Core base sets optimized for trivalent lanthanides.
Unfortunately I have the following error message in the output:
WARNING: Core states irregular for atom type Yb WARNING: Redefine ELEC_CONF in the KIND section