@SET MULTIPLICITY  1
@SET BASIS_SET 3-21G*
@SET BASIS_SET_H 3-21G*
@SET BASIS_SET_FILE ../../../data/EMSL_BASIS_SETS
@SET POTENTIAL_FILE ../../../data/POTENTIAL
&GLOBAL
  PROJECT he2_bug_disp
  PRINT_LEVEL LOW
  RUN_TYPE LINEAR_RESPONSE
&END GLOBAL
&FORCE_EVAL
  &DFT
    BASIS_SET_FILE_NAME ${BASIS_SET_FILE}
    POTENTIAL_FILE_NAME ${POTENTIAL_FILE}
    &MGRID
      CUTOFF 80
      NGRIDS 2
      &RS_GRID
        DISTRIBUTION_TYPE DISTRIBUTED
      &END RS_GRID
    &END MGRID
    &QS
      METHOD GAPW
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      MAX_SCF 5
      &OT
        ALGORITHM IRAC
        MINIMIZER DIIS
        PRECONDITIONER FULL_KINETIC
      &END OT
    &END SCF
    &XC
      &XC_FUNCTIONAL BLYP
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PROPERTIES
    &LINRES
       &LOCALIZE
       &END
       PRECONDITIONER FULL_ALL
       EPS 1E-6
       &CURRENT
         GAUGE ATOM
         GAUGE_ATOM_RADIUS 4.0
         ORBITAL_CENTER COMMON
         COMMON_CENTER 0.0 0.0 0.0
         USE_OLD_GAUGE_ATOM F
       &END CURRENT
       &NMR
          INTERPOLATE_SHIFT T
       &END
    &END
  &END
  &SUBSYS
    &CELL
# need this box size
      ABC 5.0 5.0 10.0
    &END CELL
    &KIND He
      LEBEDEV_GRID 50
      RADIAL_GRID 100
      BASIS_SET ${BASIS_SET}
      POTENTIAL ALL
    &END KIND
    &COORD
   he 0 0 0
   he 2.5 0 0
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
