&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_def2_QZVP_RI_ALL
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 400
      REL_CUTOFF 50
    &END MGRID
    &QS
      ! all electron calculation since GW100 is all-electron test
      METHOD GAPW
    &END QS
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      MAX_SCF 200
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
      ! GW is part of the WF_CORRELATION section
      &WF_CORRELATION
        ! RPA is used to compute the density response function
        METHOD RI_RPA_GPW
        ! Use Obara-Saika integrals instead of GPW integrals 
        ! since OS is much faster
        ERI_METHOD OS
        &RI_RPA
          ! use 100 quadrature points to perform the 
          ! frequency integration in GW
          RPA_NUM_QUAD_POINTS 100
          ! SIZE_FREQ_INTEG_GROUP is a group size for parallelization and 
          ! should be increased for large calculations to prevent out of memory.
          ! maximum for SIZE_FREQ_INTEG_GROUP is the number of MPI tasks
          SIZE_FREQ_INTEG_GROUP 1
          GW
          &RI_G0W0
           ! compute the G0W0@PBE energy of HOMO-9, 
           ! HOMO-8, ... , HOMO-1, HOMO 
           CORR_OCC   10
           ! compute the G0W0@PBE energy of LUMO, 
           ! LUMO+1, ... , LUMO+20
           CORR_VIRT  20
           ! fit a Pade approximant to the correlation self-energy 
           ! as function of imaginary frequency. this has been done 
           ! in the GW100 benchmark set and turned out to be reliable
           ANALYTIC_CONTINUATION PADE
           ! for solving the quasiparticle equation, the Newton method
           ! is used as in the GW100 benchmark
           CROSSING_SEARCH NEWTON
           ! use the RI approximation for the exchange part of the self-energy
           RI_SIGMA_X
          &END RI_G0W0
        &END RI_RPA
        ! NUMBER_PROC is a group size for parallelization and should 
        ! be increased for large calculations
        NUMBER_PROC 1
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
      O  0.0000 0.0000 0.0000
      H  0.7571 0.0000 0.5861
      H -0.7571 0.0000 0.5861
    &END COORD
    &TOPOLOGY
      &CENTER_COORDINATES
      &END
    &END TOPOLOGY
    &KIND H
      ! def2-QZVP is the basis which has been used in the GW100 paper
      BASIS_SET def2-QZVP
      ! just use a very large RI basis to ensure excellent 
      ! convergence with respect to the RI basis
      RI_AUX_BASIS RI-5Z
      POTENTIAL ALL
    &END KIND
    &KIND O
      BASIS_SET def2-QZVP
      RI_AUX_BASIS RI-5Z
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  RUN_TYPE     ENERGY
  PROJECT      ALL_ELEC
  PRINT_LEVEL  MEDIUM
&END GLOBAL