&GLOBAL
  PRINT_LEVEL LOW
  PROJECT Ne
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    BASIS_SET_FILE_NAME basis
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
      REL_CUTOFF 80
    &END MGRID
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-17
      EPS_PGF_ORB 1.0E-20
      GAPW_ACCURATE_XCINT T
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0E-7
      MAX_SCF 20
      SCF_GUESS RESTART
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_SINGLE_INVERSE
        STEPSIZE 0.1
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-7
        MAX_SCF 20
      &END OUTER_SCF
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
      2ND_DERIV_ANALYTICAL T
    &END XC
  &END DFT
  &PROPERTIES
    &TDDFPT
      CONVERGENCE 1.0e-5
      MAX_ITER 10
      MAX_KV 60
      NSTATES 1
      RKS_TRIPLETS T
      &DIPOLE_MOMENTS
        DIPOLE_FORM LENGTH
      &END DIPOLE_MOMENTS
      &XC
        &XC_FUNCTIONAL PBE
        &END XC_FUNCTIONAL
        2ND_DERIV_ANALYTICAL T
      &END XC
    &END TDDFPT
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
      PERIODIC NONE
    &END CELL
    &COORD
      Ne 2.5 2.5 2.5
    &END COORD
    &KIND Ne
      BASIS_SET Ahlrichs-def2-SVP
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
