&GLOBAL
  PRINT_LEVEL LOW
  PROGRAM CP2K
  PROJECT H2O-meta_hydro
  RUN_TYPE md
&END GLOBAL

&MOTION
  &FREE_ENERGY
    METHOD METADYN
    &METADYN
      DO_HILLS T
      NT_HILLS 1
      TEMPERATURE 150.
      WW .005
      &METAVAR
        COLVAR 1
        LAMBDA 1.2
        MASS 40.
        SCALE .050
      &END METAVAR
      &METAVAR
        COLVAR 2
        MASS 40.
        SCALE .2
      &END METAVAR
    &END METADYN
  &END FREE_ENERGY
  &MD
    ENSEMBLE NVT
    STEPS 5
    TEMPERATURE 150
    TIMESTEP 0.50
    &THERMOSTAT
      REGION MASSIVE
      &NOSE
        LENGTH 3
        MTS 2
        TIMECON [wavenumber_t] 5000
        YOSHIDA 3
      &END NOSE
    &END THERMOSTAT
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD QUICKSTEP
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    CHARGE +1
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 50
    &END MGRID
    &QS
    &END QS
    &SCF
      ADDED_MOS 50
      EPS_SCF 1.0E-3
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
    &END CELL
    &COLVAR
      &HYDRONIUM_SHELL
        HYDROGENS 2 3 5 6 8 9 11 12 13
        LAMBDA 10.
        NH 2.2
        OXYGENS 1 4 7 10
        POH 8
        POO 8
        QOH 16
        QOO 16
        ROH 2.2
        ROO 5.5
      &END HYDRONIUM_SHELL
    &END COLVAR
    &COLVAR
      &HYDRONIUM_DISTANCE
        HYDROGENS 2 3 5 6 8 9 11 12 13
        LAMBDA 20.
        NH 2.4
        OXYGENS 1 4 7 10
        PM 20
        QM 40
      &END HYDRONIUM_DISTANCE
    &END COLVAR
    &COORD
      O        0.000000        0.000000        0.000000
      H        0.120000        0.060000       -0.990000
      H       -0.960000       -0.250000        0.160000
      O        0.140000        2.389000        0.920000
      H        0.480000        2.609000        1.790000
      H       -0.040000        3.269000        0.540000
      O       -2.450000       -0.590000        0.410000
      H       -2.874000       -0.061000        0.935000
      H       -2.760000       -1.480000        0.620000
      O       -0.140000        0.254000       -2.427000
      H       -1.043000        0.354000       -2.615000
      H        0.252000        0.281000       -3.381000
      H        0.100000        0.930000        0.350000
    &END COORD
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-BLYP-q6
    &END KIND
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &PRINT
      &ATOMIC_COORDINATES SILENT
      &END ATOMIC_COORDINATES
    &END PRINT
  &END SUBSYS
&END FORCE_EVAL
