&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT Ne-hfx-pbc-metric-rho
  RUN_TYPE MD
&END GLOBAL

&MOTION
  &MD
    MAX_STEPS 1
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    AUTO_BASIS RI_HFX SMALL
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    SORT_BASIS EXP
    &MGRID
      CUTOFF 300
      REL_CUTOFF 50
    &END MGRID
    &QS
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0E-7
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 5
      SCF_GUESS ATOMIC
      &OT ON
        PRECONDITIONER FULL_ALL
      &END OT
    &END SCF
    &XC
      &HF
        &INTERACTION_POTENTIAL
          CUTOFF_RADIUS 2.0
          POTENTIAL_TYPE TRUNCATED
        &END INTERACTION_POTENTIAL
        &RI
          RI_FLAVOR RHO
          RI_METRIC IDENTITY
        &END RI
      &END HF
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 10.0
    &END CELL
    &COORD
      Ne   0.000000    0.000000    0.000000
      Ne   0.000000    0.000000    2.800000
      Ne   0.000000    0.000000    4.000000
      Ne   0.000000    0.000000    6.100000
      Ne   0.000000    0.000000    8.900000
    &END COORD
    &KIND Ne
      BASIS_SET 3-21Gx
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
