error when using surface dipole correction in geometry optimization

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zhang yipu

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Nov 18, 2021, 4:14:56 AM11/18/21
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Dear all:
    It's ok that I used the surface dipole correction when  geometric optimization for pure ceria (1 1 1) surface, however, there is an error when I put a single atom Pd on the surface.
 1.png
Any help would be very much appreciated!!!

CeO2single.xyz
log
ceo2cp2k.inp
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