&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_SET
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-8
    &END QS
    &SCF
      EPS_SCF 1.0E-4
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 4.0 4.0 4.0
    &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
    &KIND H
       &BASIS
          # Basis set name:  DZVP-GTH-PADE  for symbol:  H
          # Basis set read from the basis set filename: BASIS_SET
 2
 1 0 0 4 2
 8.3744350009 -0.0238943732 0.
 1.805868146 -0.1397943259 0.
 0.4852531032 -0.2530970874 0.
 0.1658235797 -0.6955307423 1.
 2 1 1 1 1
 0.7 1.
       &END BASIS
       POTENTIAL GTH
       &POTENTIAL
          # Potential name:  GTH-PADE-Q1  for symbol:  H
          # Potential read from the potential filename: POTENTIAL
 1
 0.2 2 -4.1802368 0.72507482
 0
       &END POTENTIAL
    &END KIND
    &KIND O
       &BASIS
          # Basis set name:  DZVP-GTH-PADE  for symbol:  O
          # Basis set read from the basis set filename: BASIS_SET
 2
 2 0 1 4 2 2
 8.3044042305 0.1510163077 0. -0.0995678047 0.
 2.4579452461 -0.0393193874 0. -0.3011430914 0.
 0.7597363524 -0.6971729792 0. -0.475085273 0.
 0.2136387585 -0.3841125601 1. -0.3798775565 1.
 3 2 2 1 1
 0.8 1.
       &END BASIS
       POTENTIAL GTH
       &POTENTIAL
          # Potential name:  GTH-PADE-Q6  for symbol:  O
          # Potential read from the potential filename: POTENTIAL
 2 4
 0.24762086 2 -16.58031797 2.39570092
 2
 0.22178614 1 18.26691718
 0.2568289 0
       &END POTENTIAL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2O-bs_input
  RUN_TYPE MD
  PRINT_LEVEL LOW
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 5
    TIMESTEP 0.1
    TEMPERATURE 300.0
  &END MD
&END MOTION
