!
! Excited state optimization using MOM
!
&GLOBAL
  SEED 123412
  WALLTIME    20000
  PROJECT     MP2_MOM_geo
  RUN_TYPE    GEO_OPT
  PRINT_LEVEL LOW
  &TIMINGS
    THRESHOLD  0.001
  &END
  ! TRACE
  ! TRACE_MASTER .FALSE.
  ! TRACE_MAX 10000
&END GLOBAL
&MOTION
  &GEO_OPT
     MAX_ITER 1
  &END
&END
!
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME    HFX_BASIS
    POTENTIAL_FILE_NAME    HF_POTENTIALS
    UKS .TRUE.
    MULTIPLICITY 1

    &MGRID
      CUTOFF     50
      REL_CUTOFF 20
      ! SKIP_LOAD_BALANCE_DISTRIBUTED
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-18
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      EPS_SCF 5.0E-5
      MAX_SCF 30
      ADDED_MOS 5

      &MOM ON
        DEOCC_ALPHA 4
        OCC_ALPHA   5
      &END MOM

      &OUTER_SCF
        EPS_SCF  2.0E-5
        MAX_SCF  2
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
      &HF
        FRACTION  1.0
        &SCREENING
          EPS_SCHWARZ          1.0E-7
          SCREEN_ON_INITIAL_P  FALSE
        &END SCREENING
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE TRUNCATED
          CUTOFF_RADIUS  2.0
          T_C_G_DATA  t_c_g.dat
        &END
      &END HF
      &WF_CORRELATION
        &RI_MP2
          BLOCK_SIZE  1
        &END
        &CANONICAL_GRADIENTS
          EPS_CANONICAL 1.0E-7
          FREE_HFX_BUFFER .FALSE.
          &CPHF
            EPS_CONV  1.0E-4
            MAX_ITER  10
          &END
        &END
        &INTEGRALS
          &WFC_GPW
            CUTOFF      20
            REL_CUTOFF  10
            EPS_FILTER  1.0E-4
            EPS_GRID    1.0E-6
          &END WFC_GPW
        &END INTEGRALS
        MEMORY    500
        NUMBER_PROC  1
      &END
    &END XC
  &END DFT
  &SUBSYS
    &COORD
      O  0.000000    0.000000   -0.065587
      H  0.000000   -0.757136    0.520545
      H  0.000000    0.757136    0.520545
    &END
    &CELL
        ABC 6.000 6.000 6.000
    &END
    &KIND H
      BASIS_SET          DZVP-GTH
      BASIS_SET RI_AUX   RI_DZVP-GTH
      POTENTIAL          GTH-HF-q1
    &END KIND
    &KIND O
      BASIS_SET          DZVP-GTH
      BASIS_SET RI_AUX   RI_DZVP-GTH
      POTENTIAL          GTH-HF-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL


