&GLOBAL
  PRINT_LEVEL LOW
  PROJECT N
  RUN_TYPE ENERGY
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 3
    TEMPERATURE 300.0
    TIMESTEP 0.5
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    LSD
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
      NGRIDS 5
    &END MGRID
    &PRINT
      &MO
        ADD_LAST NUMERIC
        EIGENVALUES
        OCCUPATION_NUMBERS
        &EACH
          QS_SCF 0
        &END EACH
      &END MO
    &END PRINT
    &QS
      EPS_DEFAULT 1.0E-12
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 2
    &END QS
    &SCF
      ADDED_MOS 30 30
      EPS_DIIS 1.0E-12
      EPS_SCF 1.0E-6
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 60
      SCF_GUESS ATOMIC
      &MIXING
        ALPHA 0.4
        ALPHA_MAG 1.6
        BETA 1.0
        BETA_MAG 0.0
        METHOD BROYDEN_MIXING
        NBROYDEN 8
      &END MIXING
      &SMEAR
        METHOD GAUSSIAN
        SIGMA [eV] 0.05
      &END SMEAR
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &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
