&FORCE_EVAL
  METHOD QMMM
  &DFT
    BASIS_SET_FILE_NAME ../GTH_BASIS_SETS
    POTENTIAL_FILE_NAME ../POTENTIAL
    &MGRID
      COMMENSURATE
      CUTOFF 50
    &END MGRID
    &QS
    &END QS
    &SCF
      SCF_GUESS atomic
    &END SCF
    &XC
      &XC_FUNCTIONAL pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &MM
    &FORCEFIELD
      parm_file_name ../sample_pot/butane.pot
      parmtype CHM
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .44
        GMAX 24
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &QMMM
    MM_POTENTIAL_FILE_NAME ../MM_POTENTIAL
    &CELL
      ABC 7.0 7.0 7.0
    &END CELL
    ECOUPL GAUSS
    NOCOMPATIBILITY
    &INTERPOLATOR
      EPS_R 1.0e-14
      EPS_X 1.0e-14
      MAXITER 100
    &END INTERPOLATOR
    &MM_KIND CTL3
      RADIUS 0.78
    &END MM_KIND
    &MM_KIND HAL3
      RADIUS 0.78
    &END MM_KIND
    &QM_KIND C
      MM_INDEX 1 5 8 11
    &END QM_KIND
    &QM_KIND H
      MM_INDEX 2 3 4 6 7 9 10 12 13 14
    &END QM_KIND
  #
  # QM_KINDS
  #
  #
  # MM_KINDS
  #
  #
  # LINKS
  #
  #
  &END QMMM
  &SUBSYS
    &CELL
      ABC 24.955 24.955 24.955
    &END CELL
    &KIND H
      BASIS_SET SZV-GTH
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND C
      BASIS_SET SZV-GTH
      POTENTIAL GTH-PADE-q4
    &END KIND
    &TOPOLOGY
      CHARGE_BETA
      COORD_FILE_NAME ../sample_pdb/butane.pdb
      COORDINATE pdb
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT C4H10-qmmm-gauss-1
  PRINT_LEVEL MEDIUM
  RUN_TYPE WFN_OPT
&END GLOBAL
