&GLOBAL
  PRINT_LEVEL LOW
  PROJECT ala2-tdwf
  RUN_TYPE RTP
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 2
    TEMPERATURE 300.0
    TIMESTEP [au_t] 0.25
  &END MD
  &PRINT
    &TRAJECTORY
      &EACH
        MD 1
      &END EACH
    &END TRAJECTORY
  &END PRINT
&END MOTION

&FORCE_EVAL
  METHOD QUICKSTEP
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME POTENTIAL
    &LOCALIZE
      MAX_ITER 100
      METHOD CS
      OPERATOR PIPEK
      OUT_ITER_EACH 1
      &PRINT
        &LOCALIZED_MOMENTS
          ADD_LAST NUMERIC
          COMMON_ITERATION_LEVELS 5
          COM_NL .TRUE.
          FILENAME __STD_OUT__
          MAGNETIC .TRUE.
          MAX_MOMENT 1
          VEL_REPRS .TRUE.
        &END LOCALIZED_MOMENTS
        &WANNIER_CENTERS
          ADD_LAST NUMERIC
          COMMON_ITERATION_LEVELS 5
          FILENAME ""
          IONS+CENTERS .TRUE.
        &END WANNIER_CENTERS
        &WANNIER_STATES
          ADD_LAST NUMERIC
          COMMON_ITERATION_LEVELS 5
          FILENAME ""
        &END WANNIER_STATES
      &END PRINT
    &END LOCALIZE
    &MGRID
      CUTOFF 100
      REL_CUTOFF 25
    &END MGRID
    &PRINT
      &MOMENTS
        ADD_LAST NUMERIC
        COMMON_ITERATION_LEVELS 5
        COM_NL .TRUE.
        FILENAME ""
        MAGNETIC .TRUE.
        MAX_MOMENT 2
        PERIODIC .FALSE.
        REFERENCE COM
        VEL_REPRS .TRUE.
      &END MOMENTS
    &END PRINT
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &REAL_TIME_PROPAGATION
      APPLY_DELTA_PULSE .TRUE.
      DELTA_PULSE_DIRECTION 1 0 0
      EPS_ITER 1.0E-9
      INITIAL_WFN SCF_WFN
      MAT_EXP TAYLOR
      MAX_ITER 5
    &END REAL_TIME_PROPAGATION
    &SCF
      EPS_SCF 1.0E-3
      MAX_SCF 60
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
        ALGORITHM STANDARD
      &END DIAGONALIZATION
      &MIXING
        ALPHA 0.4
        METHOD BROYDEN_MIXING
        NBROYDEN 8
      &END MIXING
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.0 15.0 8.0
    &END CELL
    &COORD
      C  4.00000  5.93478  4.00000  co2_1
      O  4.00000  5.49099  2.90808  co2_1
      O  4.00000  6.37858  5.09191  co2_1
      C  4.00000 12.19553  4.00000  co2_2
      O  4.00000 11.75174  2.90808  co2_2
      O  4.00000 12.63932  5.09191  co2_2
      C  4.00000  9.06516  4.00000  co2_3
      O  4.00000  8.62137  2.90808  co2_3
      O  4.00000  9.50895  5.09191  co2_3
      C  4.00000  2.80441  4.00000  co2_4
      O  4.00000  2.36062  2.90808  co2_4
      O  4.00000  3.24820  5.09191  co2_4
    &END COORD
    &KIND H
      BASIS_SET SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND HX
      BASIS_SET SZV-MOLOPT-SR-GTH
      ELEMENT H
      GHOST T
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND C
      BASIS_SET SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q4
    &END KIND
    &KIND N
      BASIS_SET SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q5
    &END KIND
    &KIND O
      BASIS_SET SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
