&GLOBAL
  PRINT_LEVEL LOW
  PROJECT_NAME H2_SKALA_ENERGY
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    MULTIPLICITY 1
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    UKS FALSE
    &MGRID
      CUTOFF 150
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC XYZ
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-8
      EXTRAPOLATION USE_PREV_WF
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      IGNORE_CONVERGENCE_FAILURE T
      MAX_SCF 1
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
      &END DIAGONALIZATION
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &GAUXC
          GRID FINE
          MODEL SKALA
          PERIODIC_REFERENCE T
          PRUNING_SCHEME ROBUST
        &END GAUXC
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
      PERIODIC XYZ
    &END CELL
    &COORD
      H 3.0 3.0 2.6
      H 3.0 3.0 3.4
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
