&GLOBAL
  PRINT_LEVEL low
  PROJECT H2O-rks-diag
  RUN_TYPE debug
&END GLOBAL

&DEBUG
  CHECK_ATOM_FORCE 1 z
  DE 0.001
  DEBUG_DIPOLE .FALSE.
  DEBUG_FORCES .TRUE.
  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 GTH_BASIS_SETS
    PLUS_U_METHOD Lowdin
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-8
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      MAX_SCF 30
      SCF_GUESS atomic
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 4.0 4.0 4.0
    &END CELL
    &COORD
      O  0.000   0.000   -0.111
      H  0.000  -0.744    0.495
      H  0.000   0.744    0.495
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q6
      &DFT_PLUS_U
        L 1
        U_MINUS_J [eV] 2.0
      &END DFT_PLUS_U
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
