&GLOBAL
  PROJECT extrap-6
  RUN_TYPE MD
  PRINT_LEVEL MEDIUM
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 2
    TIMESTEP 1.0
    TEMPERATURE 300.0
  &END MD
&END MOTION
&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME ../../../data/GTH_BASIS_SETS
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 120
    &END MGRID
    &QS
      EXTRAPOLATION USE_GUESS
      EPS_DEFAULT 1.0E-5
      EPS_FILTER_MATRIX 0.0e0
    &END QS
    &SCF
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 15 4 4
    &END CELL
    &COORD
    O   0.000000    0.000000   -0.065587
    H   0.000000   -0.757136    0.520545
    H   0.000000    0.757136    0.520545
    O   1.000000    0.000000   -0.065587
    H   1.000000   -0.757136    0.520545
    H   1.000000    0.757136    0.520545
    &END COORD
    &VELOCITY
       0.0 0.0 0.0
       0.0 0.0 0.0
       0.0 0.0 0.0
       0.2 0.0 0.0
       0.2 0.0 0.0
       0.2 0.0 0.0
    &END 
    &KIND H
      BASIS_SET dZVp-GTH
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET dZVp-GTH
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
