Question for calculation of water layer on Pt metal surfaces

[Chanwoo Noh]

Dear all,

I have been studying to use CP2K program to perform the DFT calculations. 
I have some questions whether input options and system size are adequate 
for my system, so please give me any comments or advices for my calculation 
options below.

My system for DFT calculation is a hydronium ion and water layer on the 
Pt(111) metal slab.
The Pt slab is described as 4 layers with 6*6 Pt atoms per each layer, and 
23 water molecules and one hydronium ion are arranged on the platinum slab.
During the geometry optimization, below two layers of Pt are fixed, and 
other atoms are allowed to relax.
In addition, a vacuum of 6d, where d is the slab thickness of platinum, are 
added, so total box size is 16.75angstr *16.75angstr(60degrees) * 70angstr.

With above system, my input options are following:
The multigrid option is used with 500Ry grid cutoff, and 50Ry relative 
cutoff.
Total charge and multiplicity are set to 1.
The Fermi Dirac smear option is used for accelerate the SCF calculation, 
and broyden_mixing option is also used.
PBE functional is used for DFT functional.
DZVP-MOLOPT-SR-GTH basis is used for Pt atoms, and DZVP-MOLOPT-GTH basis 
are used for H and O atoms.
DFTd3 VdW potential is also used, for Van der Waals interaction is 
important for water system.

Are there any problems or something to be changed in my options?
I would be appreciate if you give me any comments for my question.

My input file is modified from the tutorial input file 
https://www.cp2k.org/howto:converging_cutoff, and my input and output files 
are attached as files.


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