&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT diamond
  RUN_TYPE GEO_OPT
&END GLOBAL

&MOTION
  &GEO_OPT
    MAX_ITER 1
  &END GEO_OPT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    AUTO_BASIS RI_HFX SMALL
    BASIS_SET_FILE_NAME BASIS_ccGRB_UZH
    BASIS_SET_FILE_NAME BASIS_ADMM_UZH
    POTENTIAL_FILE_NAME POTENTIAL
    SORT_BASIS EXP
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      EXCH_CORRECTION_FUNC PBEX
      EXCH_SCALING_MODEL MERLOT
      METHOD BASIS_PROJECTION
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &KPOINTS
      SCHEME MONKHORST-PACK 3 3 3
    &END KPOINTS
    &MGRID
      CUTOFF 150
      REL_CUTOFF 30
    &END MGRID
    &PRINT
      &DERIVATIVES
      &END DERIVATIVES
    &END PRINT
    &QS
      EXTRAPOLATION USE_GUESS
      METHOD GPW
      PW_GRID_BLOCKED FALSE
    &END QS
    &SCF
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 1
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        FRACTION 1.0
        &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
          CUTOFF_RADIUS 0.5
          POTENTIAL_TYPE TRUNCATED
        &END INTERACTION_POTENTIAL
        &RI
          MEMORY_CUT 2
          NGROUPS 2
          RI_METRIC IDENTITY
        &END RI
      &END HF
      &XC_FUNCTIONAL NONE
      &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 6.5 6.5 6.5
      ALPHA_BETA_GAMMA 60.0 60.0 60.0
      SYMMETRY RHOMBOHEDRAL
    &END CELL
    &COORD
      SCALED
      C   0.05000000  0.10000000  0.00000000
      C   0.23000000  0.28000000  0.24000000
    &END COORD
    &KIND C
      BASIS_SET ccGRB-D-q4
      BASIS_SET AUX_FIT admm-dz-q4
      POTENTIAL GTH-PBE
    &END KIND
    &TOPOLOGY
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
