&FORCE_EVAL
  METHOD Quickstep
  &DFT
    LSD
    BASIS_SET_FILE_NAME ../../../data/BASIS_MOLOPT
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 200
      NGRIDS 5
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 2
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      &MIXING
          METHOD DIRECT_P_MIXING
          ALPHA   0.2
      &END
      EPS_DIIS 1.0E-12
      EPS_SCF 1.0E-6
      MAX_SCF 3
      ADDED_MOS 30 30
      &SMEAR
         ELECTRONIC_TEMPERATURE [au_temp] 0.010
         METHOD FERMI_DIRAC
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
    &PRINT
       &MO
         &EACH
           QS_SCF 0
         &END
         ADD_LAST NUMERIC
         EIGENVALUES
         OCCUPATION_NUMBERS
       &END
    &END
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
    &END CELL
    &COORD
    N 0.0 0.0 0.0
    &END COORD
    &KIND N
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PADE-q5
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT N
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 3
    TIMESTEP 0.5
    TEMPERATURE 300.0
  &END MD
&END MOTION
