&GLOBAL
  PRINT_LEVEL LOW
  PROJECT ec_dipole
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  DE 0.0002
  DEBUG_DIPOLE .TRUE.
  DEBUG_FORCES .FALSE.
  DEBUG_POLARIZABILITY .FALSE.
  DEBUG_STRESS_TENSOR .FALSE.
&END DEBUG

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    BASIS_SET_FILE_NAME BASIS_ADMM
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      EXCH_CORRECTION_FUNC NONE
      EXCH_SCALING_MODEL NONE
      METHOD BASIS_PROJECTION
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &EFIELD
    &END EFIELD
    &ENERGY_CORRECTION
      ENERGY_FUNCTIONAL HARRIS
      HARRIS_BASIS HARRIS
      &PRINT
        &MOMENTS ON
          PERIODIC .FALSE.
          REFERENCE COM
        &END MOMENTS
      &END PRINT
      &RESPONSE_SOLVER
        EPS 1.E-5
        EPS_FILTER 1.E-6
        METHOD MO_SOLVER
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END RESPONSE_SOLVER
      &XC
        &XC_FUNCTIONAL
          &PBE
          &END PBE
        &END XC_FUNCTIONAL
      &END XC
    &END ENERGY_CORRECTION
    &QS
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-8
      MAX_SCF 10
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-8
        MAX_SCF 10
      &END OUTER_SCF
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE0
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 6.0 6.0 6.0
      PERIODIC NONE
    &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_SET DZVP-GTH-PADE
      BASIS_SET HARRIS DZVP-GTH-PADE
      BASIS_SET AUX_FIT FIT3
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      BASIS_SET HARRIS DZVP-GTH-PADE
      BASIS_SET AUX_FIT FIT3
      POTENTIAL GTH-PADE-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
