&FORCE_EVAL

  METHOD Quickstep

  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 100
    &END MGRID
    &QS
      METHOD GPW
    &END QS
    &SCF
      MAX_SCF 4
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
    &POISSON
     POISSON_SOLVER PERIODIC
     PERIODIC XYZ
    &END POISSON
  &END DFT

  &SUBSYS
    &CELL
      ABC 9.0  9.0  9.0
      PERIODIC XYZ
    &END CELL
    &COORD
 O         1.628251        2.207621        3.406674
 H         1.954667        1.664101        4.141434
 H         1.989905        1.756902        2.631377
 O         1.985458        2.897307       -0.592069
 H         2.714523        2.470551       -1.049004
 H         2.125553        2.756644        0.364397
 C         0.016062        3.044969        1.269806
 O         0.016062        3.044969        2.669807
 O         1.072613        3.044969        0.659806
 H         0.911731        3.044969        2.986475
 C        -1.239675        3.044969        0.544806
 H        -2.067401        3.044969        1.252471
 H        -1.297362        3.934134       -0.081276
 H        -1.297362        2.155804       -0.081276
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND

    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q6
    &END KIND

    &KIND C
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q4
    &END KIND

    &COLVAR
     &ACID_HYDRONIUM_DISTANCE
      HYDROGENS 2 3 5 6 10
      OXYGENS_WATER 1 4
      OXYGENS_ACID 8 9
     &END
    &END
    &COLVAR
     &ACID_HYDRONIUM_SHELL
      HYDROGENS 2 3 5 6 10
      OXYGENS_WATER 1 4
      OXYGENS_ACID 8 9
     &END
    &END
  &END SUBSYS
&END FORCE_EVAL

&GLOBAL
  PROJECT _acid_water_meta
  RUN_TYPE MD
  IOLEVEL  LOW
&END GLOBAL

&MOTION
 &MD
   ENSEMBLE NVT
   STEPS 3
   TIMESTEP 0.5
   TEMPERATURE 330
   TEMP_KIND
   &THERMOSTAT
       REGION MOLECULE
       TYPE CSVR
       &CSVR
         TIMECON 500
       &END CSVR
   &END
  &END MD
  #############
 &FREE_ENERGY
   &METADYN
     DO_HILLS T
     NT_HILLS 1
     WW 0.1
     HILL_TAIL_CUTOFF 2
     P_EXPONENT  8
     Q_EXPONENT  20
     &METAVAR
       COLVAR 1
       SCALE 0.1
     &END
     &METAVAR
       COLVAR 2
       SCALE 0.1
     &END
   &END METADYN
 &END FREE_ENERGY
&END MOTION
