&GLOBAL
  FLUSH_SHOULD_FLUSH
  PRINT_LEVEL MEDIUM
  PROJECT KCl
  RUN_TYPE ENERGY_FORCE
&END GLOBAL

&FORCE_EVAL
  METHOD QMMM
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      COMMENSURATE
    &END MGRID
    &QS
    &END QS
    &SCF
      EPS_SCF 1.0E-06
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 5
      SCF_GUESS ATOMIC
      &OT
      &END OT
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &MM
    &FORCEFIELD
      &CHARGE
        ATOM Cl
        CHARGE -1.0
      &END CHARGE
      &CHARGE
        ATOM K
        CHARGE 1.0
      &END CHARGE
      &CHARGE
        ATOM KZ
        CHARGE 0.0
      &END CHARGE
      &CHARGE
        ATOM ClZ
        CHARGE 0.0
      &END CHARGE
      &NONBONDED
        &WILLIAMS
          A [eV] 4117.9
          ATOMS K Cl
          B [angstrom^-1] 3.2808
          C [eV*angstrom^6] 0.0
          RCUT [angstrom] 5.0
        &END WILLIAMS
        &WILLIAMS
          A [eV] 4117.9
          ATOMS K ClZ
          B [angstrom^-1] 3.2808
          C [eV*angstrom^6] 0.0
          RCUT [angstrom] 5.0
        &END WILLIAMS
        &WILLIAMS
          A [eV] 4117.9
          ATOMS KZ Cl
          B [angstrom^-1] 3.2808
          C [eV*angstrom^6] 0.0
          RCUT [angstrom] 5.0
        &END WILLIAMS
        &WILLIAMS
          A [eV] 4117.9
          ATOMS KZ ClZ
          B [angstrom^-1] 3.2808
          C [eV*angstrom^6] 0.0
          RCUT [angstrom] 5.0
        &END WILLIAMS
        &WILLIAMS
          A [eV] 1227.2
          ATOMS Cl Cl
          B [angstrom^-1] 3.1114
          C [eV*angstrom^6] 124.0
          RCUT [angstrom] 10.0
        &END WILLIAMS
        &WILLIAMS
          A [eV] 1227.2
          ATOMS Cl ClZ
          B [angstrom^-1] 3.1114
          C [eV*angstrom^6] 124.0
          RCUT [angstrom] 10.0
        &END WILLIAMS
        &WILLIAMS
          A [eV] 1227.2
          ATOMS ClZ ClZ
          B [angstrom^-1] 3.1114
          C [eV*angstrom^6] 124.0
          RCUT [angstrom] 10.0
        &END WILLIAMS
        &WILLIAMS
          A [eV] 3796.9
          ATOMS K K
          B [angstrom^-1] 3.84172
          C [eV*angstrom^6] 124.0
          RCUT [angstrom] 10.0
        &END WILLIAMS
        &WILLIAMS
          A [eV] 3796.9
          ATOMS K KZ
          B [angstrom^-1] 3.84172
          C [eV*angstrom^6] 124.0
          RCUT [angstrom] 10.0
        &END WILLIAMS
        &WILLIAMS
          A [eV] 3796.9
          ATOMS KZ KZ
          B [angstrom^-1] 3.84172
          C [eV*angstrom^6] 124.0
          RCUT [angstrom] 10.0
        &END WILLIAMS
      &END NONBONDED
      #IGNORE_MISSING_CRITICAL_PARAMS T
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .44
        EWALD_TYPE spme
        GMAX 40
      &END EWALD
    &END POISSON
    &PRINT
      &EWALD_INFO
      &END EWALD_INFO
    &END PRINT
  &END MM
  &QMMM
    CENTER NEVER
    CENTER_TYPE PBC_AWARE_MAX_MINUS_MIN
    ECOUPL GAUSS
    NOCOMPATIBILITY
    USE_GEEP_LIB 6
    &CELL
      ABC 6.0 6.0 6.0
      PERIODIC XYZ
    &END CELL
    &MM_KIND K
      RADIUS 1.52
    &END MM_KIND
    &MM_KIND Cl
      RADIUS 1.67
    &END MM_KIND
    &PERIODIC
    &END PERIODIC
    &QM_KIND K
      MM_INDEX 5 6 7 8
    &END QM_KIND
    &QM_KIND Cl
      MM_INDEX 1 2 3 4
    &END QM_KIND
  &END QMMM
  &SUBSYS
    &CELL
      ABC 1.2430769273802913E+01 1.2430769273802913E+01 1.2430769273802913E+01
    &END CELL
    &KIND K
      BASIS_SET DZVP-MOLOPT-SR-GTH
      ELEMENT K
      POTENTIAL GTH-PBE-q9
    &END KIND
    &KIND Cl
      BASIS_SET DZVP-MOLOPT-GTH
      ELEMENT Cl
      POTENTIAL GTH-PBE-q7
    &END KIND
    &KIND KZ
      BASIS_SET DZVP-MOLOPT-SR-GTH
      ELEMENT K
      POTENTIAL GTH-PBE-q9
    &END KIND
    &KIND ClZ
      BASIS_SET DZVP-MOLOPT-GTH
      ELEMENT Cl
      POTENTIAL GTH-PBE-q7
    &END KIND
    &TOPOLOGY
      COORD_FILE_FORMAT XYZ
      COORD_FILE_NAME KCl_64.xyz
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
