&GLOBAL
  PROJECT OCS
  PRINT_LEVEL MEDIUM
  RUN_TYPE ENERGY
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_GW2X
    POTENTIAL_FILE_NAME POTENTIAL
    AUTO_BASIS RI_XAS MEDIUM

    &MGRID
      CUTOFF 800
      REL_CUTOFF 50
      NGRIDS 5
    &END MGRID
    &QS
      METHOD GAPW
    &END QS

    &POISSON
      PERIODIC NONE
      PSOLVER MT 
    &END

    &SCF
      EPS_SCF 1.0E-8
      MAX_SCF 50
    &END SCF

    &XC
      &XC_FUNCTIONAL                ! The PBEh(45%) functional 
         &LIBXC 
            FUNCTIONAL GGA_C_PBE 
         &END LIBXC 
         &LIBXC 
            FUNCTIONAL GGA_X_PBE 
            SCALE 0.55 
         &END LIBXC 
      &END XC_FUNCTIONAL

      &HF
         FRACTION 0.45
      &END HF
    &END XC

    &XAS_TDP
      &DONOR_STATES
         DEFINE_EXCITED BY_KIND
         KIND_LIST S
         STATE_TYPES 2p          ! Need to look for the S 2p states within the 7 MOs with lowest energy;
         N_SEARCH 7              ! one S 1s, one S 2s, three S 2s , one C 1s and one O 1s
         LOCALIZE                ! Localization is required
      &END DONOR_STATES

      EXCITATIONS RCS_SINGLET
      EXCITATIONS RCS_TRIPLET
      SOC

      GRID S  300 500

      N_EXCITED 150
      TAMM_DANCOFF

      &GW2X                      ! This is the only difference in the input file with respect to a
      &END GW2X                  ! standard XAS_TDP calculation (defaults parameters are used)

      &KERNEL
         RI_REGION 3.0
         &XC_FUNCTIONAL 
            &LIBXC 
               FUNCTIONAL GGA_C_PBE 
            &END LIBXC 
            &LIBXC 
               FUNCTIONAL GGA_X_PBE 
               SCALE 0.55 
            &END LIBXC 
         &END XC_FUNCTIONAL
         &EXACT_EXCHANGE
            FRACTION 0.45
         &END EXACT_EXCHANGE
      &END KERNEL

    &END XAS_TDP
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
      C         5.0000000209        4.9999999724        5.2021372095
      O         5.0000000094        5.0000000290        6.3579624316
      S         5.0000000207        5.0000000007        3.6399034216
    &END COORD
    &KIND C
      BASIS_SET aug-pcX-2
      POTENTIAL ALL
    &END KIND
    &KIND O
      BASIS_SET aug-pcX-2
      POTENTIAL ALL
    &END KIND
    &KIND S
      BASIS_SET aug-pcX-2
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL