&FORCE_EVAL
  METHOD Quickstep
  &DFT
    LSD
    BASIS_SET_FILE_NAME BASIS_def2_QZVP_RI_ALL
    POTENTIAL_FILE_NAME POTENTIAL

    CHARGE 0
    MULTIPLICITY 3
    &MGRID
      CUTOFF 150
    &END MGRID
    &POISSON
       PERIODIC NONE
       POISSON_SOLVER MT
    &END
    &QS
      METHOD GAPW
    &END QS
    &SCF
      MAX_SCF 2
      SCF_GUESS ATOMIC
      EPS_SCF 1.0E-6
      &DIAGONALIZATION
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
    &PRINT
     &MO
       EIGENVALUES
       MO_RANGE 1 50
       OCCUPATION_NUMBERS
     &END
    &END
    &XAS
      &SCF
        EPS_SCF 8.5E-2
        MAX_SCF 30
      &END
      METHOD        TP_FH
      DIPOLE_FORM   VELOCITY
      STATE_TYPE    1s
      STATE_SEARCH  2
      SPIN_CHANNEL  2
      ATOMS_LIST    1
      ADDED_MOS     10
      &LOCALIZE
      &END
      &PRINT
         &PROGRAM_RUN_INFO
         &END
         &RESTART
         &END
         &XES_SPECTRUM
         &END
         &XAS_SPECTRUM
         &END
      &END

    &END
  &END DFT


  &SUBSYS
    &CELL
      ABC [angstrom]  6.0  6.0  6.0
      PERIODIC NONE
    &END CELL

    &COORD
      O  0.00000000  0.00000000  -0.00423076
      O  0.00000000  -0.00000000  1.21423076
    &END

    &KIND H
      BASIS_SET  def2-QZVP
      POTENTIAL ALL
    &END KIND

    &KIND O
      BASIS_SET  def2-QZVP
      POTENTIAL ALL
    &END KIND

    &KIND N
      BASIS_SET  def2-QZVP
      POTENTIAL ALL
    &END KIND

    &KIND C
      BASIS_SET  def2-QZVP
      POTENTIAL ALL
    &END KIND

    &KIND F
      BASIS_SET  def2-QZVP
      POTENTIAL ALL
    &END KIND

  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT 7782-44-7
  RUN_TYPE energy
  WALLTIME  10700
&END GLOBAL

