&GLOBAL
  PRINT_LEVEL LOW
  PROJECT cc02
  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 T
&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 LDA_X_LIBXC
      EXCH_SCALING_MODEL NONE
      METHOD BASIS_PROJECTION
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &EXCITED_STATES T
      DEBUG_FORCES T
      STATE 1
    &END EXCITED_STATES
    &MGRID
      CUTOFF 180
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MT
    &END POISSON
    &PRINT
      &MOMENTS ON
        PERIODIC .FALSE.
        REFERENCE COM
      &END MOMENTS
    &END PRINT
    &QS
      EPS_DEFAULT 1.E-10
      GAPW_ACCURATE_XCINT T
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 20
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        &SCREENING
          SCREEN_P_FORCES F
        &END SCREENING
      &END HF
      &XC_FUNCTIONAL PBE0
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PROPERTIES
    &TDDFPT
      ADMM_KERNEL_CORRECTION_SYMMETRIC T
      ADMM_KERNEL_XC_CORRECTION F
      CONVERGENCE [eV] 1.0e-06
      KERNEL FULL
      MAX_ITER 50
      NSTATES 1
      RKS_TRIPLETS F
    &END TDDFPT
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC [angstrom] 4.5 4.5 4.5
      PERIODIC NONE
    &END CELL
    &COORD
      C          0.0000000000        0.0000000000       -0.5265526741
      O          0.0000000000        0.0000000000        0.6555124750
      H          0.0000000000       -0.9325664988       -1.1133424527
      H          0.0000000000        0.9325664988       -1.1133424527
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      BASIS_SET AUX_FIT cFIT3
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND C
      BASIS_SET DZVP-GTH-PADE
      BASIS_SET AUX_FIT cFIT3
      POTENTIAL GTH-PADE-q4
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      BASIS_SET AUX_FIT cFIT3
      POTENTIAL GTH-PADE-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
