&GLOBAL
  PRINT_LEVEL LOW
  PROJECT h2o_polar
  RUN_TYPE LINEAR_RESPONSE
&END GLOBAL

&FORCE_EVAL
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 100
    &END MGRID
    &SCF
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 4
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
      &XC_GRID
        XC_DERIV NN50_SMOOTH
      &END XC_GRID
    &END XC
  &END DFT
  &PROPERTIES
    &LINRES
      EPS 1E-6
      MAX_ITER 2000
      PRECONDITIONER FULL_ALL
      &POLAR
        DO_RAMAN T
      &END POLAR
    &END LINRES
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC [bohr] 10. 10. 10.
    &END CELL
    &COORD
      UNIT bohr
      O           0.000000       0.000000       0.224953
      H           0.000000       1.451310      -0.899812
      H           0.000000      -1.451310      -0.899812
    &END COORD
    &KIND H
      BASIS_SET SZV-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET SZV-GTH
      POTENTIAL GTH-PBE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
