&GLOBAL
  PROJECT H2O-meta_hydro
  PRINT_LEVEL LOW
  PROGRAM CP2K
  RUN_TYPE md
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVT
    STEPS 5
    TIMESTEP 0.50
    TEMPERATURE 150
    &THERMOSTAT
      REGION MASSIVE
      &NOSE
        LENGTH     3
        YOSHIDA             3
        TIMECON  [wavenumber_t] 5000
        MTS        2
      &END NOSE
    &END
  &END MD
  &FREE_ENERGY
    METHOD METADYN
    &METADYN
      DO_HILLS T
      NT_HILLS 1
      WW .005
      TEMPERATURE 150.
      &METAVAR
        LAMBDA 1.2
        MASS 40.
        COLVAR 1
        SCALE .050
      &END METAVAR
      &METAVAR
        MASS 40.
        COLVAR 2
        SCALE .2
      &END METAVAR
    &END METADYN
  &END FREE_ENERGY
&END MOTION
&FORCE_EVAL
  METHOD QUICKSTEP
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
    &END CELL
    &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
    &COLVAR
     &HYDRONIUM_SHELL
       OXYGENS   1 4 7 10
       HYDROGENS 2 3 5 6 8 9 11 12 13
       ROO 5.5
       ROH 2.2
       NH  2.2
       POH 8
       QOH 16
       POO 8
       QOO 16
       LAMBDA 10.
     &END HYDRONIUM_SHELL
    &END COLVAR
    &COLVAR
     &HYDRONIUM_DISTANCE
       OXYGENS   1 4 7 10
       HYDROGENS 2 3 5 6 8 9 11 12 13
       NH 2.4
       PM 20
       QM 40
       LAMBDA 20.
     &END HYDRONIUM_DISTANCE
    &END COLVAR
  &END SUBSYS
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
   CHARGE +1
   &MGRID
     CUTOFF 50
   &END MGRID
   &SCF
     SCF_GUESS          ATOMIC
     EPS_SCF 1.0E-3
     ADDED_MOS  50
   &END SCF
   &QS
   &END QS
   &XC
     &XC_FUNCTIONAL Pade
     &END XC_FUNCTIONAL
   &END XC
  &END DFT
&END FORCE_EVAL
