&GLOBAL
  PRINT_LEVEL HIGH
  PROJECT H
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &KPOINTS
      EPS_GEO 1.0E-4
      FULL_GRID ON
      PARALLEL_GROUP_SIZE 0
      SCHEME MONKHORST-PACK 6 6 6
      SYMMETRY ON
      VERBOSE T
    &END KPOINTS
    &MGRID
      CUTOFF 100
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
      EXTRAPOLATION USE_GUESS
    &END QS
    &SCF
      ADDED_MOS 50
      CHOLESKY INVERSE
      EPS_SCF 5.0E-6
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 60
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
        ALGORITHM STANDARD
      &END DIAGONALIZATION
      &MIXING
        ALPHA 0.1
        BETA 1.5
        METHOD BROYDEN_MIXING
        NBROYDEN 8
      &END MIXING
      &PRINT
        &RESTART off
        &END RESTART
      &END PRINT
    &END SCF
    &XC
      &XC_FUNCTIONAL LDA
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 4.00759 4.00759 5.00307
      ALPHA_BETA_GAMMA 90 90 120
      MULTIPLE_UNIT_CELL 1 1 1
    &END CELL
    &COORD
      H   0.33333   0.66667   0.17498
      H   0.66667   0.33333   0.82502
      H   0.66667   0.33333   0.67498
      H   0.33333   0.66667   0.32502
      SCALED T
    &END COORD
    &KIND H
      BASIS_SET SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &TOPOLOGY
      MULTIPLE_UNIT_CELL 1 1 1
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
