&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_SET
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    LSD
    CHARGE +1
    &MGRID
      CUTOFF 100
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      MAP_CONSISTENT
      &DDAPC_RESTRAINT
        STRENGTH   0.2497
        TARGET     0.1
        ATOMS      1
        COEFF      0.5
        FUNCTIONAL_FORM CONSTRAINT
      &END
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 3
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      MAX_SCF 4
      &OUTER_SCF
        STEP_SIZE -1.0
        TYPE DDAPC_CONSTRAINT
        OPTIMIZER SD
        EPS_SCF 2.0E-6
        MAX_SCF 2
        EXTRAPOLATION_ORDER 1
      &END
      &OT
      &END OT
    &END SCF
    &DENSITY_FITTING
       MIN_RADIUS 0.6
       NUM_GAUSS  1
    &END
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 4.0 4.0
    &END CELL
    &COORD
    He   4.0  2.0 2.0
    He   2.0  2.0 2.0
    &END COORD
    &KIND He
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q2
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT He2_ddapc_constraint-4
  RUN_TYPE MD
  PRINT_LEVEL MEDIUM
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 2
    TIMESTEP 0.5
    TEMPERATURE 300.0
  &END MD
&END MOTION
