Multiwfn forum

This is my input file. Thanks a lot  for your advice and help!
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&FORCE_EVAL
  METHOD Quickstep
  &DFT
    UKS
    BASIS_SET_FILE_NAME ${data}/BASIS_SET
    BASIS_SET_FILE_NAME ${data}/BASIS_MOLOPT
    POTENTIAL_FILE_NAME ${data}/GTH_POTENTIALS
       &MGRID
      CUTOFF 600
      REL_CUTOFF 60
      NGRIDS 4
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-15
      #      EPS_PGF_ORB 1.0E-06
    &END QS
    &POISSON
     PERIODIC XYZ
    &END POISSON
    &SCF
     MAX_SCF 500
     SCF_GUESS RESTART
     EPS_SCF   5.0E-6
     CHOLESKY INVERSE
     &OT
        PRECONDITIONER FULL_SINGLE_INVERSE
      #  ENERGY_GAP 0.001
        MINIMIZER DIIS
     &END OT
    &PRINT
       &RESTART
         &EACH
           MD 20
         &END EACH
       &END RESTART
     &END PRINT
    &END SCF
    &XC
      &XC_GRID
         XC_DERIV  SPLINE2
         XC_SMOOTH_RHO NN50
    &END XC_GRID
    &XC_FUNCTIONAL PBE
    &END XC_FUNCTIONAL
    &VDW_POTENTIAL
         POTENTIAL_TYPE   NON_LOCAL
         &NON_LOCAL
           CUTOFF 300.
           KERNEL_FILE_NAME ${data}/rVV10_kernel_table.dat
           TYPE RVV10
         &END NON_LOCAL
    &END VDW_POTENTIAL
    &END XC
   &PRINT
     &MO_MOLDEN #Exporting .molden file containing wavefunction information
       NDIGITS 9 #Output orbital coefficients if absolute value is larger than 1E-9
     &END MO_MOLDEN

   &END PRINT
  &END DFT
  &PROPERTIES
    &TDDFPT
      NSTATES   500
      MIN_AMPLITUDE 0.01
      MAX_KV 100
     &END TDDFPT
  &END PROPERTIES

  &SUBSYS
    &KIND C
      ELEMENT   C
      BASIS_SET DZVP-MOLOPT-SR-GTH-q4
      POTENTIAL GTH-PBE
    &END KIND

    &KIND H
      ELEMENT   H
      BASIS_SET DZVP-MOLOPT-SR-GTH-q1
      POTENTIAL GTH-PBE
    &END KIND

    &KIND S
      ELEMENT   S
      BASIS_SET DZVP-MOLOPT-SR-GTH-q6
      POTENTIAL GTH-PBE
    &END KIND
    &CELL
      A 34.76132 0.0 0.0
      B -17.380659999999992 30.10418618908008 0.0
      C 0.0 0.0 33.5796
      MULTIPLE_UNIT_CELL  1 1 1
       PERIODIC XYZ
    &END CELL
    &TOPOLOGY
        COORD_FILE_NAME X.xyz
        COORD_FILE_FORMAT xyz
        MULTIPLE_UNIT_CELL  1 1 1
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&MOTION
  &GEO_OPT
      TYPE MINIMIZATION
      MAX_DR    1.0E-03
      MAX_FORCE 1.0E-03
      RMS_DR    1.0E-03
      RMS_FORCE 1.0E-03
      MAX_ITER 500
      OPTIMIZER BFGS
      &BFGS
#              RESTART_FILE_NAME Cu2O_SM26-BFGS.Hessian
#              RESTART_HESSIAN
      &END BFGS
      #      &CG
      #         MAX_STEEP_STEPS  0
      #         RESTART_LIMIT 9.0E-01
      #      &END CG
   &END GEO_OPT
&END MOTION