geometrical optimization of metal surface

[Chanwoo Noh]

Dear all,

I am new to CP2K, so forgive me if my question is idiot question.
I want to perform the DFT calculation of Pt(111) surface with water 
molecules.
Before I start the main calculation, I did geometrical optimization of 
Pt(111) metal surface.
Although I started from the optimized structure, the structure of Pt 
becomes weird after the optimization calculation.
I think that the SCF does not converge during calculation.
Are there some problems in my input files? 
I would appreciate if you give me any advice for my input file, please.

I copy my input files and attach the output files.

Pt.inp

&GLOBAL
  PROJECT Pt_bulk 
  RUN_TYPE GEO_OPT 
  PRINT_LEVEL MEDIUM
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME  BASIS_MOLOPT
    POTENTIAL_FILE_NAME  GTH_POTENTIALS
    &MGRID
      CUTOFF 300
      REL_CUTOFF 50
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
    &END QS
    &SCF
      SCF_GUESS RESTART
      MAX_SCF   30
      EPS_SCF   1.0E-6
      &OT  
          PRECONDITIONER    FULL_SINGLE_INVERSE
          MINIMIZER DIIS
      &END OT

      &OUTER_SCF
          MAX_SCF 10
          EPS_SCF 1.0E-6
      &END OUTER_SCF
      
    &END SCF

    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &KIND Pt
      ELEMENT Pt
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q18
    &END KIND
    &CELL
      SYMMETRY ORTHORHOMBIC
      A     11.16800000    0.000000000    0.000000000
      B     0.000000000    9.671800000    0.000000000
      C     0.000000000    0.000000000    9.118600000
    &END CELL
    &TOPOLOGY
        COORD_FILE_NAME     Pt.xyz
        COORD_FILE_FORMAT   XYZ
    &END TOPOLOGY
  &END SUBSYS
  &PRINT
    &TOTAL_NUMBERS  ON
    &END TOTAL_NUMBERS
  &END PRINT
&END FORCE_EVAL

&MOTION
    &GEO_OPT
        OPTIMIZER   LBFGS
    &END
    &CELL_OPT
        KEEP_SYMMETRY
    &END
&END MOTION

Pt.xyz
64 
11.1680 9.6718 9.1186
Pt 0.00000 0.00000 0.00000
Pt 1.39600 2.41794 0.00000
Pt 0.00000 1.61196 2.27966
Pt 1.39600 4.02990 2.27966
Pt 0.00000 0.00000 4.55932
Pt 1.39600 2.41794 4.55932
Pt 0.00000 1.61196 -2.27966
Pt 1.39600 4.02990 -2.27966
Pt 0.00000 4.83589 0.00000
Pt 1.39600 -2.41794 0.00000
Pt 0.00000 -3.22392 2.27966
Pt 1.39600 -0.80598 2.27966
Pt 0.00000 4.83589 4.55932
Pt 1.39600 -2.41794 4.55932
Pt 0.00000 -3.22392 -2.27966
Pt 1.39600 -0.80598 -2.27966
Pt 2.79200 0.00000 0.00000
Pt 4.18800 2.41794 0.00000
Pt 2.79200 1.61196 2.27966
Pt 4.18800 4.02990 2.27966
Pt 2.79200 0.00000 4.55932
Pt 4.18800 2.41794 4.55932
Pt 2.79200 1.61196 -2.27966
Pt 4.18800 4.02990 -2.27966
Pt 2.79200 4.83589 0.00000
Pt 4.18800 -2.41794 0.00000
Pt 2.79200 -3.22392 2.27966
Pt 4.18800 -0.80598 2.27966
Pt 2.79200 4.83589 4.55932
Pt 4.18800 -2.41794 4.55932
Pt 2.79200 -3.22392 -2.27966
Pt 4.18800 -0.80598 -2.27966
Pt 5.58400 0.00000 0.00000
Pt -4.18800 2.41794 0.00000
Pt 5.58400 1.61196 2.27966
Pt -4.18800 4.02990 2.27966
Pt 5.58400 0.00000 4.55932
Pt -4.18800 2.41794 4.55932
Pt 5.58400 1.61196 -2.27966
Pt -4.18800 4.02990 -2.27966
Pt 5.58400 4.83589 0.00000
Pt -4.18800 -2.41794 0.00000
Pt 5.58400 -3.22392 2.27966
Pt -4.18800 -0.80598 2.27966
Pt 5.58400 4.83589 4.55932
Pt -4.18800 -2.41794 4.55932
Pt 5.58400 -3.22392 -2.27966
Pt -4.18800 -0.80598 -2.27966
Pt -2.79200 0.00000 0.00000
Pt -1.39600 2.41794 0.00000
Pt -2.79200 1.61196 2.27966
Pt -1.39600 4.02990 2.27966
Pt -2.79200 0.00000 4.55932
Pt -1.39600 2.41794 4.55932
Pt -2.79200 1.61196 -2.27966
Pt -1.39600 4.02990 -2.27966
Pt -2.79200 4.83589 0.00000
Pt -1.39600 -2.41794 0.00000
Pt -2.79200 -3.22392 2.27966
Pt -1.39600 -0.80598 2.27966
Pt -2.79200 4.83589 4.55932
Pt -1.39600 -2.41794 4.55932
Pt -2.79200 -3.22392 -2.27966
Pt -1.39600 -0.80598 -2.27966



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