&FORCE_EVAL
  METHOD QMMM
  &DFT
    BASIS_SET_FILE_NAME ../GTH_BASIS_SETS
    POTENTIAL_FILE_NAME ../POTENTIAL
    &MGRID
      COMMENSURATE
      CUTOFF 100.0
    &END MGRID
    &SCF
      SCF_GUESS atomic
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
    LSD
  &END DFT
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../../../Fist/sample_pot/charmm.pot
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE ewald
        ALPHA 0.44
        GMAX 25
      &END EWALD
    &END POISSON
  &END MM
  &QMMM
    USE_GEEP_LIB 6
    &CELL
      ABC 8.000 8.000 8.000
      PERIODIC XYZ
    &END CELL
    ECOUPL GAUSS
    &MM_KIND H
      RADIUS 0.440
    &END MM_KIND
    &MM_KIND O
      RADIUS 0.780
    &END MM_KIND
    &QM_KIND H
      MM_INDEX 4
    &END QM_KIND
    &QM_KIND O
      MM_INDEX 3
    &END QM_KIND
    &LINK
      QM_INDEX 3
      QM_KIND H
      MM_INDEX 5
    &END LINK
  &END QMMM
  &SUBSYS
    &CELL
      A 20.082045 0.000000 0.000000
      B 0.000000 20.082045 0.000000
      C 0.000000 0.000000 20.082045
      PERIODIC XYZ
    &END CELL
    &TOPOLOGY
      &GENERATE
        CREATE_MOLECULES
        &ISOLATED_ATOMS
          LIST 1 2
        &END ISOLATED_ATOMS
      &END GENERATE
      CHARGE_EXTENDED
      COORD_FILE_NAME ../sample_pdb/wat_nacl.pdb
      COORD_FILE_FORMAT PDB
    &END TOPOLOGY
    &KIND H
      BASIS_SET SZV-GTH
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET SZV-GTH
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT wat_nacl
  RUN_TYPE ENERGY_FORCE
&END GLOBAL
