&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT mix_loc_rtp
  RUN_TYPE RT_PROPAGATION
&END GLOBAL

&MOTION
  &MD
    STEPS 3
    TIMESTEP [au_t] 0.2
  &END MD
&END MOTION

#CPQA DEPENDS wfn_mix_loc-0.inp
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    LSD
    POTENTIAL_FILE_NAME POTENTIAL
    RESTART_FILE_NAME mix_loc-RESTART.wfn
    &LOCALIZE
      EPS_LOCALIZATION 1.0E-10
      LIST_UNOCCUPIED 1..4
      METHOD CRAZY
      STATES UNOCCUPIED
      &PRINT
        &MOLECULAR_STATES
        &END MOLECULAR_STATES
        &WANNIER_CENTERS
        &END WANNIER_CENTERS
      &END PRINT
    &END LOCALIZE
    &MGRID
      CUTOFF 150
    &END MGRID
    &PRINT
      &E_DENSITY_CUBE
      &END E_DENSITY_CUBE
      &MO_CUBES
        NHOMO 4
        NLUMO 4
        WRITE_CUBE .FALSE.
      &END MO_CUBES
    &END PRINT
    &QS
      EPS_DEFAULT 1.0E-12
    &END QS
    &REAL_TIME_PROPAGATION
      EPS_ITER 1.0E-9
      EXP_ACCURACY 1.0E-9
      INITIAL_WFN RESTART_WFN
      MAT_EXP ARNOLDI
      MAX_ITER 6
      PROPAGATOR ETRS
    &END REAL_TIME_PROPAGATION
    &SCF
      EPS_SCF 3.0E-7
      MAX_SCF 50
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
        ALGORITHM STANDARD
      &END DIAGONALIZATION
    &END SCF
    &XC
      &XC_FUNCTIONAL BLYP
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
    &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-GTH-BLYP
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-BLYP
      POTENTIAL GTH-BLYP-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
