&GLOBAL
  PROJECT_NAME H2_FT
  RUN_TYPE RT_PROPAGATION
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 50
    TEMPERATURE [K] 0.0
    TIMESTEP [fs] 0.02
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    BASIS_SET_FILE_NAME BASIS_RI_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    ! Filter for density matrix
    &LS_SCF
      EPS_FILTER 1.0e-20
    &END LS_SCF
    &MGRID
      CUTOFF 100
      NGRIDS 1
      REL_CUTOFF 10
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER WAVELET
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-7
      METHOD GAPW
    &END QS
    &REAL_TIME_PROPAGATION
      APPLY_DELTA_PULSE
      ASPC_ORDER 1
      DELTA_PULSE_DIRECTION 1 0 0
      DELTA_PULSE_SCALE 0.001
      DENSITY_PROPAGATION ON
      EPS_ITER 1.0E-7
      EXP_ACCURACY 1.0E-10
      INITIAL_WFN SCF_WFN
      MAT_EXP BCH
      PERIODIC .FALSE.
      &PRINT
        &POLARIZABILITY
          FILENAME __STD_OUT__
        &END POLARIZABILITY
      &END PRINT
      &RTBSE
      &END RTBSE
    &END REAL_TIME_PROPAGATION
    &SCF
      ADDED_MOS -1
      EPS_SCF 1.0E-8
      SCF_GUESS ATOMIC
      &DIAGONALIZATION ON
        ALGORITHM STANDARD
      &END DIAGONALIZATION
      &MIXING
        ALPHA 0.4
        METHOD BROYDEN_MIXING
        NBROYDEN 4
      &END MIXING
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  ! Include G0W0 bandstructure correction
  &PROPERTIES
    &BANDSTRUCTURE
      &GW
        FREQ_MAX_FIT 27.211
        ! Simplest setting for quick checks
        NUM_TIME_FREQ_POINTS 20
      &END GW
    &END BANDSTRUCTURE
  &END PROPERTIES
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
      PERIODIC NONE
    &END CELL
    &COORD
      H 0.0 0.0 0.0
      H 0.74 0.0 0.0
    &END COORD
    &KIND H
      BASIS_SET ORB SZV-MOLOPT-GTH
      BASIS_SET RI_AUX RI_11_2_3_0_0_0_0_0_3.5e-03
      POTENTIAL GTH-PBE
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
