&GLOBAL
 PROJECT H
 RUN_TYPE ENERGY
 PRINT_LEVEL HIGH
&END GLOBAL

&FORCE_EVAL
 METHOD Quickstep
 &DFT
  BASIS_SET_FILE_NAME BASIS_MOLOPT
  POTENTIAL_FILE_NAME GTH_POTENTIALS
  &MGRID
   CUTOFF 100
  &END MGRID
  &QS
   EPS_DEFAULT 1.0E-08
   EXTRAPOLATION USE_GUESS
  &END QS
  &SCF
   ADDED_MOS 50
   CHOLESKY INVERSE
   EPS_SCF 1.0E-6
   MAX_SCF 1
   SCF_GUESS ATOMIC
   &DIAGONALIZATION
    ALGORITHM STANDARD
   &END DIAGONALIZATION
   &MIXING
    METHOD BROYDEN_MIXING
    ALPHA   0.1
    BETA    1.5
    NBROYDEN  8
   &END MIXING
   &PRINT
    &RESTART off
    &END RESTART
   &END PRINT
   &SMEAR on
    METHOD FERMI_DIRAC
    ELECTRONIC_TEMPERATURE [K] 300
   &END SMEAR
  &END SCF
  &XC
   &XC_FUNCTIONAL LDA
   &END XC_FUNCTIONAL
  &END XC
  &KPOINTS
   SCHEME  MONKHORST-PACK  6 6 6
   SYMMETRY ON
   EPS_GEO 1.0E-4
   FULL_GRID ON
   VERBOSE T
   PARALLEL_GROUP_SIZE  0
  &END KPOINTS
 &END DFT
 &SUBSYS
  &CELL
   MULTIPLE_UNIT_CELL 1 1 1
   ABC   4.00759 4.00759 5.00307
   ALPHA_BETA_GAMMA   90   90   120
  &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
  &TOPOLOGY
   MULTIPLE_UNIT_CELL 1 1 1
  &END TOPOLOGY
  &KIND H
   BASIS_SET SZV-MOLOPT-SR-GTH
   POTENTIAL GTH-PBE-q1
  &END KIND
 &END SUBSYS
&END FORCE_EVAL
