&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT hBN_gapw_ovlp
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    AUTO_BASIS RI_HFX SMALL
    BASIS_SET_FILE_NAME BASIS_pob
    LSD
    POTENTIAL_FILE_NAME POTENTIAL
    SORT_BASIS EXP
    &KPOINTS
      SCHEME MONKHORST-PACK 2 2 1
    &END KPOINTS
    &MGRID
      CUTOFF 120
      REL_CUTOFF 30
    &END MGRID
    &QS
      METHOD GAPW
      PW_GRID_BLOCKED FALSE
    &END QS
    &SCF
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 2
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        &INTERACTION_POTENTIAL
          !this is too small for a real calculation. The only requirement is that it is
          !smaller than N_kp * L/2 in each direction. Potential range has a drastic effect
          !on efficiency, as it greatly increses the number of periodic images to consider
          POTENTIAL_TYPE IDENTITY
        &END INTERACTION_POTENTIAL
        &RI
          EPS_FILTER 1.0E-10
          MEMORY_CUT 2
          NGROUPS 2
          RI_METRIC IDENTITY
        &END RI
      &END HF
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      !note: this is not a realistic cell, but denser cells would be too expensive for a test
      ABC 5.0 5.0 15.0
      ALPHA_BETA_GAMMA 90.0 90.0 120.0
    &END CELL
    &COORD
      SCALED
      B 0.3333333 0.6666667 0.0
      N 0.6666667 0.3333333 0.0
    &END COORD
    &KIND B
      BASIS_SET pob-DZVP-rev2
      POTENTIAL ALL
    &END KIND
    &KIND N
      BASIS_SET pob-DZVP-rev2
      POTENTIAL ALL
    &END KIND
    &TOPOLOGY
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
