&GLOBAL
  IOLEVEL LOW
  PROJECT _acid_water_meta
  RUN_TYPE MD
&END GLOBAL

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

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 100
    &END MGRID
    &POISSON
      PERIODIC XYZ
      POISSON_SOLVER PERIODIC
    &END POISSON
    &QS
      METHOD GPW
    &END QS
    &SCF
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 4
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
      &END OT
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 9.0 9.0 9.0
      PERIODIC XYZ
    &END CELL
    &COLVAR
      &ACID_HYDRONIUM_DISTANCE
        HYDROGENS 2 3 5 6 10
        OXYGENS_ACID 8 9
        OXYGENS_WATER 1 4
      &END ACID_HYDRONIUM_DISTANCE
    &END COLVAR
    &COLVAR
      &ACID_HYDRONIUM_SHELL
        HYDROGENS 2 3 5 6 10
        OXYGENS_ACID 8 9
        OXYGENS_WATER 1 4
      &END ACID_HYDRONIUM_SHELL
    &END COLVAR
    &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
  &END SUBSYS
&END FORCE_EVAL
