&GLOBAL
  PROJECT Li-ROKS
  PRINT_LEVEL LOW
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    ROKS
    MULTIPLICITY 2
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MT
    &END POISSON
    &QS
      ALPHA0_H 10.0
      EPS_DEFAULT 1.0E-8
      EPSFIT 1.0E-4
      EPSISO 1.0E-12
      EPSRHO0 1.0E-6
      EXTRAPOLATION USE_PREV_P
      LMAXN0 2
      LMAXN1 6
      METHOD GAPW_XC
      QUADRATURE GC_LOG
    &END QS
    &SCF
      CHOLESKY OFF
      ROKS_SCHEME high-spin
      ROKS_PARAMETERS 1/3 2/3 1/3 1/3 2/3 1/3
      SCF_GUESS atomic
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
      PERIODIC NONE
    &END CELL
    &COORD
      Li   0.000000  0.000000  0.000000
    &END COORD
    &KIND Li
      BASIS_SET 6-31Gx
      POTENTIAL GTH-PADE
      RADIAL_GRID 50
      LEBEDEV_GRID 50
    &END KIND
    &PRINT
      &KINDS
        BASIS_SET
        POTENTIAL
      &END KINDS
    &END PRINT
  &END SUBSYS
&END FORCE_EVAL
