&CELL
  ABC 4.0 4.0 4.0
  UNIT ANGSTROM
&END CELL

&COORD
  O   0.000000    0.000000   -0.065587
  H   0.000000   -0.757136    0.520545
  H   0.000000    0.757136    0.520545
&END COORD

&CP2K
  FFTLIB FFTSG
  IOLEVEL 10
  PROGRAM Quickstep
  PROJECT H2O
  RUN_TYPE MD
&END CP2K

&DFT
  FUNCTIONAL Pade
&END DFT

&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

&MD
  CONSTRAINTS: off
  ENSEMBLE: nve (nve,nvt,npt_i,npt_f)
  LENGTH: 3 &
  MTS: 2
  NOSE_PARAMETER &
  RESTART: init start type (pos,posvel)
  SHAKE: 1.0E-10
  STEPS: 5
  TEMPERATURE: 300.0 temperature [K]
  TIMECON: 100.0 fs &
  TIMESTEP: 0.1 fs time step [fs]
  YOSHIDA: 3 &
&END MD

&PRINT LOW
  COORD
&END PRINT

&QS
  CUTOFF 200
  EPS_DEFAULT 1.0E-10
&END QS

&SCF
  EPS_SCF 1.0E-6
  GUESS ATOMIC
&END SCF