&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT diamond_gapw_tc
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    AUTO_BASIS RI_HFX SMALL
    BASIS_SET_FILE_NAME BASIS_pob
    POTENTIAL_FILE_NAME POTENTIAL
    SORT_BASIS EXP
    &KPOINTS
      SCHEME MONKHORST-PACK 2 2 2
    &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
        FRACTION 0.2
        &INTERACTION_POTENTIAL
          CUTOFF_RADIUS 1.5
          !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 TRUNCATED
        &END INTERACTION_POTENTIAL
        &RI
          CUTOFF_RADIUS 1.5
          EPS_FILTER 1.0E-10
          MEMORY_CUT 2
          NGROUPS 2
          RI_METRIC TRUNCATED
          USE_DELTA_P FALSE
        &END RI
      &END HF
      &XC_FUNCTIONAL
        &HYB_GGA_XC_B3LYP
        &END HYB_GGA_XC_B3LYP
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      !this is not a realistic cell, but denser systems would be too expensive for a test
      ABC 7.5 7.5 7.5
      ALPHA_BETA_GAMMA 60.0 60.0 60.0
    &END CELL
    &COORD
      SCALED
      C   0.00000000  0.00000000  0.00000000
      C   0.25000000  0.25000000  0.25000000
    &END COORD
    &KIND C
      BASIS_SET pob-DZVP-rev2
      POTENTIAL ALL
    &END KIND
    &TOPOLOGY
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
