&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_SET
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    LSD
    &MGRID
      CUTOFF 80
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      MAP_CONSISTENT
      &DDAPC_RESTRAINT
        ATOMS   3
        TARGET -1.0
        STRENGTH 0.02
        FUNCTIONAL_FORM CONSTRAINT 
      &END
      &DDAPC_RESTRAINT
        ATOMS   2
        TARGET  0.0
        STRENGTH 6.0
        TYPE_OF_DENSITY FULL
      &END
      &DDAPC_RESTRAINT
        ATOMS   1 
        TARGET -1.0
        STRENGTH 6.0
        TYPE_OF_DENSITY SPIN
      &END
    &END QS
    &SCF
      MAX_SCF 7 
      EPS_SCF 5.0E-7
      SCF_GUESS ATOMIC
      &OT
        PRECONDITIONER FULL_ALL
        ENERGY_GAP 0.01 
      &END
      &OUTER_SCF
         MAX_SCF 1 
         EPS_SCF 3.0E-3
         OPTIMIZER BISECT
         TYPE DDAPC_CONSTRAINT
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
    &DENSITY_FITTING
    &END  
    &PRINT
       &E_DENSITY_CUBE
       &END
       &MULLIKEN
       &END
    &END
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 10.0
    &END CELL
    &COORD
    He   0.000000   0.0   0.0
    He   0.000000   0.0   3.0
    He   0.000000   0.0   6.0
    &END COORD
    &KIND He
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q2
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT He3_multi_ddapc
! RUN_TYPE MD
   RUN_TYPE ENERGY
  PRINT_LEVEL MEDIUM
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 5
    TIMESTEP 0.4
    TEMPERATURE 300.0
  &END MD
&END MOTION
