&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT CH-hfx-md-2
  #  TRACE
  RUN_TYPE MD
&END GLOBAL

&MOTION
  &MD
    STEPS 3
    TEMPERATURE 0.1
    TIMESTEP 0.5
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    LSD
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
      REL_CUTOFF 50
    &END MGRID
    &QS
      METHOD GAPW
    &END QS
    &SCF
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 5
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        &MEMORY
          MAX_MEMORY 10
        &END MEMORY
        &SCREENING
          EPS_SCHWARZ 1.0E-10
          SCREEN_P_FORCES TRUE
        &END SCREENING
      &END HF
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
    &END CELL
    &COORD
      C   0.000000    0.000000    0.1581
      H   0.000000    0.000000    -0.9487
    &END COORD
    &KIND H
      BASIS_SET 6-31Gx
      POTENTIAL ALL
    &END KIND
    &KIND C
      BASIS_SET 6-31Gx
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
