&FORCE_EVAL
  METHOD Quickstep
  &PROPERTIES
    &LINRES
       PRECONDITIONER FULL_ALL
       EPS 1.e-5
       &POLAR
          DO_RAMAN T
          PERIODIC_DIPOLE_OPERATOR F
       &END
    &END
  &END
  &DFT
    &MGRID
      CUTOFF 100
    &END
    BASIS_SET_FILE_NAME BASIS_SET
    BASIS_SET_FILE_NAME BASIS_ADMM
    &QS
      METHOD GPW
      EPS_DEFAULT 1.e-10
    &END QS
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      EXCH_CORRECTION_FUNC BECKE88X
      EXCH_SCALING_MODEL NONE
      METHOD BASIS_PROJECTION
    &END
    &EFIELD
    &END
    &SCF
      SCF_GUESS RESTART
      &OT OFF
         PRECONDITIONER FULL_SINGLE_INVERSE
         MINIMIZER DIIS
      &END
      &OUTER_SCF
         MAX_SCF  10
         EPS_SCF 1.0E-6
      &END
      MAX_SCF  100
      EPS_SCF 1.0E-6
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &PBE
          SCALE_X 0.75
          SCALE_C 1.0
        &END
      &END XC_FUNCTIONAL
      &HF
        &SCREENING
          EPS_SCHWARZ 1.0E-6
          SCREEN_ON_INITIAL_P FALSE
        &END
        &MEMORY
          MAX_MEMORY 900
          EPS_STORAGE_SCALING 0.1
        &END
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE TRUNCATED
          CUTOFF_RADIUS 2.0
          T_C_G_DATA t_c_g.dat
        &END
        FRACTION 0.25
      &END
    &END XC
    &PRINT
      &MOMENTS ON
         PERIODIC .FALSE.
         REFERENCE COM
      &END
    &END
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 6.0 6.0 6.0
      PERIODIC NONE
    &END
    &COORD
    O   0.000000    0.000000   -0.065587
    H   0.000000   -0.757136    0.520545
    H   0.000000    0.757136    0.520545
    &END COORD
    &TOPOLOGY
     &CENTER_COORDINATES
     &END
    &END
    &KIND H
      BASIS_SET DZV-GTH-PADE
      BASIS_SET AUX_FIT FIT3
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      BASIS_SET AUX_FIT FIT3
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PRINT_LEVEL LOW
  PROJECT dipole
  RUN_TYPE ENERGY_FORCE
##  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
   DEBUG_FORCES .FALSE.
   DEBUG_STRESS_TENSOR .FALSE.
   DEBUG_DIPOLE .TRUE.
   DEBUG_POLARIZABILITY .TRUE.
   DE 0.0002
   EPS_NO_ERROR_CHECK 5.e-5
&END


