&GLOBAL
  PRINT_LEVEL LOW
  PROJECT H2O_lrigpw_shg
  RUN_TYPE MD
&END GLOBAL

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

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_LRI
    CHARGE 0
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 100
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC XYZ
      POISSON_SOLVER PERIODIC
    &END POISSON
    &QS
      METHOD LRIGPW
      &LRIGPW
        SHG_LRI_INTEGRALS
      &END LRIGPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 3
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
      &END DIAGONALIZATION
    &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
    &KIND H
      BASIS_SET ORB ORB_SHG_TEST
      BASIS_SET LRI_AUX LRI_SHG_TEST
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET ORB ORB_SHG_TEST
      BASIS_SET LRI_AUX LRI_SHG_TEST
      POTENTIAL GTH-PBE-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
