&GLOBAL
  PRINT_LEVEL LOW
  PROJECT H2O
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  CHECK_DIPOLE_DIRS Z
  DE 0.001
  DEBUG_DIPOLE .TRUE.
  DEBUG_FORCES .FALSE.
  DEBUG_POLARIZABILITY .FALSE.
  DEBUG_STRESS_TENSOR .FALSE.
  MAX_RELATIVE_ERROR 0.05
  STOP_ON_MISMATCH F
&END DEBUG

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT_UZH
    BASIS_SET_FILE_NAME BASIS_ADMM
    POTENTIAL_FILE_NAME POTENTIAL_UZH
    &EFIELD
    &END EFIELD
    &EXCITED_STATES T
      DEBUG_FORCES T
      STATE 1
    &END EXCITED_STATES
    &MGRID
      CUTOFF 250
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MT
    &END POISSON
    &PRINT
      &MOMENTS ON
        PERIODIC .FALSE.
        REFERENCE COM
      &END MOMENTS
    &END PRINT
    &QS
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.E-7
      MAX_SCF 50
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PROPERTIES
    &TDDFPT
      CONVERGENCE 1.0e-8
      KERNEL FULL
      NSTATES 1
      &REDUCED_EXCITATION_SPACE
        ENERGY_WINDOW -15 -10
        #UPPER_ENERGY_CUTOFF   10
        #LOWER_ENERGY_CUTOFF  -8
      &END REDUCED_EXCITATION_SPACE
      &XC
        &XC_FUNCTIONAL NONE
        &END XC_FUNCTIONAL
      &END XC
    &END TDDFPT
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
      PERIODIC NONE
    &END CELL
    &COORD
      O   0.000000    0.000000   -0.065587 H2O
      H   0.000000   -0.757136    0.520545 H2O
      H   0.000000    0.757136    0.520545 H2O
    &END COORD
    &KIND H
      BASIS_SET ORB DZVP-MOLOPT-GGA-GTH-q1
      BASIS_SET AUX_FIT cFit3
      POTENTIAL GTH-GGA-q1
    &END KIND
    &KIND O
      BASIS_SET ORB DZVP-MOLOPT-GGA-GTH-q6
      BASIS_SET AUX_FIT cFit3
      POTENTIAL GTH-GGA-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
