&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT RI_RPA_H2O_admm
  RUN_TYPE ENERGY
  &TIMINGS
    THRESHOLD 0.01
  &END TIMINGS
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME HFX_BASIS
    BASIS_SET_FILE_NAME BASIS_ADMM
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    SORT_BASIS EXP
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &MGRID
      CUTOFF 100
      REL_CUTOFF 20
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER WAVELET
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-30
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-7
      MAX_SCF 100
      SCF_GUESS ATOMIC
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
    &XC
      &WF_CORRELATION
        MEMORY 200.
        NUMBER_PROC 1
        &LOW_SCALING
        &END LOW_SCALING
        &RI_RPA
          ADMM
          RPA_NUM_QUAD_POINTS 6
          &HF
            FRACTION 1.0000000
            &SCREENING
              EPS_SCHWARZ 1.0E-8
              SCREEN_ON_INITIAL_P FALSE
            &END SCREENING
          &END HF
        &END RI_RPA
      &END WF_CORRELATION
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 8.000 8.000 8.000
      PERIODIC NONE
    &END CELL
    &KIND H
      BASIS_SET DZVP-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      BASIS_SET AUX_FIT FIT3
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      BASIS_SET AUX_FIT FIT3
      POTENTIAL GTH-PBE-q6
    &END KIND
    &TOPOLOGY
      COORD_FILE_FORMAT xyz
      COORD_FILE_NAME H2O_gas.xyz
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
