&FORCE_EVAL
  METHOD Quickstep
  &DFT
    LSD
    CHARGE +1
    BASIS_SET_FILE_NAME ../../../data/EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 250
      REL_CUTOFF 50
    &END MGRID
    &QS
      METHOD GAPW
    &END QS
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      MAX_SCF 10
      &PRINT
        &RESTART
           FILENAME =H2-pbe.restart
        &END
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
      PERIODIC NONE
    &END CELL
    &COORD
    H 0.0 0.0 0.0
    H 0.0 0.0 1.0
    &END COORD
    &KIND H
      BASIS_SET aug-cc-pVTZ
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2
  PRINT_LEVEL MEDIUM 
  RUN_TYPE ENERGY
&END GLOBAL
