&GLOBAL
  PROJECT H2O_mo
  RUN_TYPE  RT_PROPAGATION
  PRINT_LEVEL LOW
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    UKS
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
    &END QS
    &SCF
      MAX_SCF 20
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
    &REAL_TIME_PROPAGATION
       APPLY_DELTA_PULSE
       DELTA_PULSE_DIRECTION 1 0 0
       DELTA_PULSE_SCALE 0.1
       PERIODIC .TRUE.
       COM_NL .FALSE. 
       MAX_ITER 50
       MAT_EXP TAYLOR
       DENSITY_PROPAGATION .TRUE.
       EXP_ACCURACY 1.0E-8
       EPS_ITER 1.0E-8
       PROPAGATOR ETRS
       INITIAL_WFN SCF_WFN ! RT_RESTART
    &END
  &END DFT
  &SUBSYS
    &CELL
      ABC 7 7 7
      PERIODIC NONE
    &END CELL
    &COORD
    O   0.000000    0.000000   -0.065587 H2O
    H   0.000000   -0.757136    0.520545 H2O
    H   0.000000    0.757136    0.520545 H2O
    &END COORD
    &KIND H
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&MOTION
  &MD
    STEPS 2
    TIMESTEP [au_t] 0.1
  &END
&END MOTION
!&EXT_RESTART
!  RESTART_FILE_NAME H2O_rtp-1.restart
!&END

