&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT LiH
  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_UZH
    SORT_BASIS EXP
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      EXCH_CORRECTION_FUNC NONE
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &KPOINTS
      SCHEME MONKHORST-PACK 2 2 2
    &END KPOINTS
    &MGRID
      CUTOFF 150
      REL_CUTOFF 30
    &END MGRID
    &QS
      EPS_PGF_ORB 1.0E-5
      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
          POTENTIAL_TYPE IDENTITY
        &END INTERACTION_POTENTIAL
        &RI
          EPS_PGF_ORB 1.0E-5
          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
      MULTIPLE_UNIT_CELL 1 1 1
    &END CELL
    &COORD
      SCALED
      Li  0.00000000  0.10000000  0.10000000
      H   0.49000000  0.52000000  0.50000000
    &END COORD
    &KIND Li
      BASIS_SET ccGRB-D-q3
      BASIS_SET AUX_FIT admm-dz-q3
      POTENTIAL GTH-HYB-q3
    &END KIND
    &KIND H
      BASIS_SET ccGRB-D-q1
      BASIS_SET AUX_FIT admm-dz-q1
      POTENTIAL GTH-HYB-q1
    &END KIND
    &TOPOLOGY
      MULTIPLE_UNIT_CELL 1 1 1
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
