
&FORCE_EVAL
  METHOD QUICKSTEP
  &DFT
    &REAL_TIME_PROPAGATION
       MAX_ITER 10
       MAT_EXP ARNOLDI
       PROPAGATOR ETRS
       EXP_ACCURACY 1.0E-11
       EPS_ITER 1.0E-9
       INITIAL_WFN SCF_WFN
    &END
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 280
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &SCF
      MAX_SCF 2
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      &OUTER_SCF
        EPS_SCF 1.0E-6
        MAX_SCF 1
      &END
      &OT ON
        ROTATION
      &END OT
    &END SCF
    &XC
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
      &HF
        &SCREENING
          EPS_SCHWARZ 1.0E-10
          EPS_SCHWARZ_FORCES 1.0E-10
          SCREEN_ON_INITIAL_P FALSE
        &END
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE TRUNCATED
          CUTOFF_RADIUS 2.0
          T_C_G_DATA t_c_g.dat
        &END
        &MEMORY
          MAX_MEMORY 50
          EPS_STORAGE_SCALING 0.1
          TREAT_FORCES_IN_CORE TRUE
        &END
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
    &END CELL
    &COORD
    O   0.000000    0.000000   -0.065587
    H   0.000000   -0.757136    0.520545
    H   0.000000    0.757136    0.520545
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PBE
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PBE
      POTENTIAL GTH-PBE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2O-hybrid-EMD-ngs
  RUN_TYPE EHRENFEST_DYN
  PRINT_LEVEL MEDIUM
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 2
    TIMESTEP [au_t] 0.1
    TEMPERATURE 300.0
  &END MD
&END MOTION
