[CP2K-user] The influence of the slab models' structure on the convergence rate of GEO_OPT

[rui zou]

Hi everyone,

I want to perform GEO_OPT of In2O3(111) surface. I built two slab models. 
The two models have the same atomic numbers and almost the same lattice 
parameters, but the convergence speed of the latter is much lower than the 
former. Why is there such a big difference? If anyone could explain it, I 
would be very appreciated.

Best regards
Rui Zou
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