&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2O-ADMM1
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_ccGRB_UZH
    BASIS_SET_FILE_NAME BASIS_ADMM_UZH
    POTENTIAL_FILE_NAME POTENTIAL_UZH
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_TYPE ADMM1
      EXCH_CORRECTION_FUNC NONE
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &MGRID
      CUTOFF 200
      REL_CUTOFF 40
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      METHOD GPW
    &END QS
    &SCF
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 5
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_ALL
      &END OT
    &END SCF
    &XC
      &HF
        FRACTION 1.0
        &INTERACTION_POTENTIAL
          CUTOFF_RADIUS 2.0
          POTENTIAL_TYPE TRUNCATED
        &END INTERACTION_POTENTIAL
      &END HF
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 4.5 4.5 4.5
      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 ccGRB-D-q1
      BASIS_SET AUX_FIT admm-dz-q1
      POTENTIAL GTH-HYB-q1
    &END KIND
    &KIND O
      BASIS_SET ccGRB-D-q6
      BASIS_SET AUX_FIT admm-dz-q6
      POTENTIAL GTH-HYB-q6
    &END KIND
    &TOPOLOGY
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
