&GLOBAL
  PRINT_LEVEL LOW
  PROJECT O2_dyn
  &TIMINGS
    THRESHOLD 0.01
  &END TIMINGS
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 1
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME HFX_BASIS
    MULTIPLICITY 3
    POTENTIAL_FILE_NAME POTENTIAL
    UKS
    &MGRID
      CUTOFF 100
      REL_CUTOFF 20
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
      EPS_PGF_ORB 1.0E-20
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        FRACTION 1.0000000
        &INTERACTION_POTENTIAL
          CUTOFF_RADIUS 2.0
          POTENTIAL_TYPE TRUNCATED
          T_C_G_DATA t_c_g.dat
        &END INTERACTION_POTENTIAL
        &SCREENING
          EPS_SCHWARZ 1.0E-6
          SCREEN_ON_INITIAL_P FALSE
        &END SCREENING
      &END HF
      &WF_CORRELATION
        MEMORY 500.0
        NUMBER_PROC 2
        &CANONICAL_GRADIENTS
          EPS_CANONICAL 0.0001
          FREE_HFX_BUFFER .TRUE.
        &END CANONICAL_GRADIENTS
        &INTEGRALS
          ERI_METHOD MME
          &ERI_MME
            N_MINIMAX 3
            SUM_PRECISION 1.0E-5
          &END ERI_MME
          &WFC_GPW
            CUTOFF 50
            REL_CUTOFF 20
          &END WFC_GPW
        &END INTEGRALS
        &RI_MP2
        &END RI_MP2
      &END WF_CORRELATION
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PRINT
    &FORCES LOW
    &END FORCES
  &END PRINT
  &SUBSYS
    &CELL
      A 8.0 0.05 0.0
      B 0.05 8.0 0.0
      C 0.05 0.0 8.0
      CANONICALIZE T
    &END CELL
    &COORD
      O         4.0000000084        4.0000000084        4.6623718822
      O         3.9999999905        3.9999999905        3.3376281178
    &END COORD
    &KIND O
      BASIS_SET DZVP-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      POTENTIAL GTH-HF-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
    &VELOCITY
      0.0                       0.0                       0.0
      0.0                       0.0                       0.0
    &END VELOCITY
  &END SUBSYS
&END FORCE_EVAL
