&FORCE_EVAL
  METHOD Quickstep
  &DFT
    LSD
    BASIS_SET_FILE_NAME ../../../data/BASIS_MOLOPT
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 280
      NGRIDS 5
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 2
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      EPS_SCF 3.0E-6
      MAX_SCF 20
      &OUTER_SCF
         EPS_SCF 3.0E-6
         MAX_SCF 20
      &END
      &OT
         MINIMIZER DIIS
         PRECONDITIONER FULL_ALL
         ENERGY_GAP 0.001
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL BLYP
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
    &END CELL
    &COORD
    H   0.000000    0.757136    0.520545
    &END COORD
    &KIND H
      BASIS_SET SZV-MOLOPT-GTH
      POTENTIAL GTH-BLYP-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H
  RUN_TYPE ENERGY_FORCE
  PRINT_LEVEL LOW
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 3
    TIMESTEP 0.5
    TEMPERATURE 300.0
  &END MD
&END MOTION
