&GLOBAL
  PROJECT H2O_lrigpw_shg
  RUN_TYPE MD
  PRINT_LEVEL LOW
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &DFT
  CHARGE 0
    BASIS_SET_FILE_NAME BASIS_LRI
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF      100
      REL_CUTOFF   30
    &END MGRID
    &POISSON
       PERIODIC XYZ
       POISSON_SOLVER PERIODIC
    &END
    &QS
     METHOD LRIGPW
     &LRIGPW
       SHG_LRI_INTEGRALS
     &END
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      MAX_SCF 3
      EPS_SCF 1.0E-6
      &DIAGONALIZATION
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 7.0 7.0 7.0
      PERIODIC XYZ
    &END CELL
    &COORD
O   -1.4052885749141482   1.4052885749141482   1.3390082449865897
H   -0.4620645455670112   1.5526157777219627   1.5268989388501466
H   -1.5526157777219627   0.4620645455670112   1.5268989388501466
    &END COORD
    &TOPOLOGY
     &CENTER_COORDINATES
     &END
    &END
    &KIND H
      BASIS_SET ORB ORB_SHG_TEST
      POTENTIAL GTH-PBE-q1
      BASIS_SET LRI_AUX LRI_SHG_TEST
    &END KIND
    &KIND O
      BASIS_SET ORB ORB_SHG_TEST
      POTENTIAL GTH-PBE-q6
      BASIS_SET LRI_AUX LRI_SHG_TEST
    &END KIND
  &END SUBSYS
&END FORCE_EVAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 1
    TIMESTEP 0.5
    TEMPERATURE 300
  &END MD
&END MOTION
