&GLOBAL
  PRINT_LEVEL LOW
  PROJECT H
  RUN_TYPE ENERGY_FORCE
&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 280
      NGRIDS 5
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 2
    &END QS
    &SCF
      EPS_SCF 3.0E-6
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 20
      SCF_GUESS ATOMIC
      &OT
        ENERGY_GAP 0.001
        MINIMIZER DIIS
        PRECONDITIONER FULL_ALL
      &END OT
      &OUTER_SCF
        EPS_SCF 3.0E-6
        MAX_SCF 20
      &END OUTER_SCF
    &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
