&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2O-hybrid-EMD
  RUN_TYPE EHRENFEST_DYN
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 2
    TEMPERATURE 300.0
    TIMESTEP [au_t] 0.25
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD QUICKSTEP
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    BASIS_SET_FILE_NAME BASIS_ADMM
    POTENTIAL_FILE_NAME POTENTIAL
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      METHOD BASIS_PROJECTION
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &MGRID
      CUTOFF 100
    &END MGRID
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &REAL_TIME_PROPAGATION
      EPS_ITER 1.0E-2
      EXP_ACCURACY 1.0E-11
      INITIAL_WFN SCF_WFN
      MAT_EXP ARNOLDI
      MAX_ITER 7
      PROPAGATOR ETRS
    &END REAL_TIME_PROPAGATION
    &SCF
      EPS_SCF 1.0E-6
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 5
      SCF_GUESS ATOMIC
      &OT ON
        ROTATION
      &END OT
    &END SCF
    &XC
      &HF
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE COULOMB
        &END INTERACTION_POTENTIAL
        &MEMORY
          EPS_STORAGE_SCALING 0.1
          MAX_MEMORY 50
          TREAT_FORCES_IN_CORE TRUE
        &END MEMORY
        &SCREENING
          EPS_SCHWARZ 1.0E-10
          EPS_SCHWARZ_FORCES 1.0E-10
          SCREEN_ON_INITIAL_P FALSE
        &END SCREENING
      &END HF
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
      PERIODIC NONE
    &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 ORB DZVP-MOLOPT-GTH
      BASIS_SET AUX_FIT cFIT3
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET ORB DZVP-MOLOPT-GTH
      BASIS_SET AUX_FIT cFIT3
      POTENTIAL GTH-PBE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
