&GLOBAL
  PROJECT CO2
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  &DFT
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    AUTO_BASIS RI_XAS MEDIUM              ! size of automatically generated RI basis

    &MGRID
      CUTOFF 500
      REL_CUTOFF 40
      NGRIDS 5
    &END MGRID

    &QS
      METHOD GAPW                         ! It is necesary to use the GAPW method for 
    &END QS                               ! accurate description of core states

    &POISSON
      PERIODIC NONE
      PSOLVER MT 
    &END

    &SCF
      EPS_SCF 1.0E-8
      MAX_SCF 30
    &END SCF

    &XC
      &XC_FUNCTIONAL 
         &LIBXC 
            FUNCTIONAL HYB_GGA_XC_BHandHLYP 
         &END LIBXC 
      &END XC_FUNCTIONAL
      &HF
         FRACTION 0.5                    ! BHandHLYP functional requires 50% exact exchange
      &END HF
    &END XC

    &XAS_TDP
      &DONOR_STATES
         DEFINE_EXCITED BY_INDEX         ! We look for states by atom index:
         ATOM_LIST 1 2                   ! we want to excite atoms 1 and 2
         STATE_TYPES 1s 1s               ! from their 1s core state.
         N_SEARCH 3                      ! The 3 lowest energy MOs need to be searched (C1s, O1s, O1s) 
         LOCALIZE                        ! States need to be actively localized because O atoms are
      &END DONOR_STATES                  ! equivalent under symmetry

      GRID C 250 500                     ! Integration grid dimensions for C and O excited atoms
      GRID O 250 500                     ! there are 250 angular points (Lebedev grid) and 500
                                         ! radial points

      &KERNEL
         RI_REGION 2.0                   ! Include RI basis elements from atoms within a 2.0 Ang
                                         ! sphere radius around the excited atom for the density projection
         &XC_FUNCTIONAL                              
            &LIBXC 
               FUNCTIONAL HYB_GGA_XC_BHandHLYP 
            &END LIBXC 
         &END XC_FUNCTIONAL
         &EXACT_EXCHANGE
            FRACTION 0.5                 ! Definition of the functional for the TDDFT kernel
         &END EXACT_EXCHANGE             ! Here (and usually) taken to be the same as the ground state
      &END KERNEL
    &END XAS_TDP

  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
      C 5.00 5.00 5.00
      O 5.00 5.00 6.16
      O 5.00 5.00 3.84
    &END COORD
    &KIND C
      BASIS_SET 6-311G**                ! Using all-electron basis sets and potential is necessary
      POTENTIAL ALL                     ! for the correct description of core states
    &END KIND
    &KIND O
      BASIS_SET 6-311G**
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL