&GLOBAL
  ! RUN_TYPE ENERGY
  PRINT_LEVEL MEDIUM
  PROJECT spin_restraint
  RUN_TYPE MD
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 3
    TEMPERATURE 300.0
    TIMESTEP 0.4
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    CHARGE +1
    LSD
    POTENTIAL_FILE_NAME POTENTIAL
    &DENSITY_FITTING
    &END DENSITY_FITTING
    &MGRID
      CUTOFF 80
    &END MGRID
    &PRINT
      &MULLIKEN
      &END MULLIKEN
    &END PRINT
    &QS
      EPS_DEFAULT 1.0E-12
      &DDAPC_RESTRAINT
        ATOMS 1
        STRENGTH 5.0
        TARGET -1.0
        TYPE_OF_DENSITY SPIN
      &END DDAPC_RESTRAINT
    &END QS
    &SCF
      EPS_SCF 1.0E-7
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 7
      SCF_GUESS ATOMIC
      &OT
      &END OT
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PROPERTIES
    &FIT_CHARGE
    &END FIT_CHARGE
  &END PROPERTIES
  &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
    &END COORD
    &KIND He
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q2
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
