#CPQA DEPENDS 4H2O-mix-disk-ram.inp

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 150
      REL_CUTOFF 50
    &END MGRID
    &QS
      METHOD GAPW
    &END QS
    &SCF
      &OT on
       PRECONDITIONER FULL_ALL
      &END OT
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      MAX_SCF 5
    &END SCF
    &XC
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
      &HF
       &SCREENING
         EPS_SCHWARZ 1.0E-6
         SCREEN_ON_INITIAL_P FALSE
       &END
       &MEMORY
         MAX_MEMORY 1
         EPS_STORAGE_SCALING 1.0E-1
         MAX_DISK_SPACE 1
       &END
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
    &END CELL
    &COORD
  O        -4.1351226463        5.6217295343        4.1734819049
  H        -3.6794166617        5.9133996620        3.3765746437
  H        -4.8659807993        5.0922120122        3.8367105410
  O        -1.7983928770        5.3062005829        2.0727136006
  H        -1.6607899469        5.2055648779        3.0234478427
  H        -0.9276058519        5.1612802270        1.6955450552
  O        -2.2646350383        4.0331276465        4.5923016340
  H        -3.1433583151        3.6906167747        4.3955272151
  H        -2.4411678963        4.7660987493        5.1927846386
  O        -4.0009595153        4.1282630654        2.1317813827
  H        -3.7707244776        4.7370476195        1.4220619137
  H        -3.1779329744        3.6585072483        2.3046406277
    &END COORD
    &KIND H
      BASIS_SET 6-31Gxx
      POTENTIAL ALL
    &END KIND
    &KIND O
      BASIS_SET 6-31Gxx
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT 4H2O-disk-ram-on-the-fly
  PRINT_LEVEL MEDIUM
  RUN_TYPE ENERGY
&END GLOBAL
