&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2-full
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    BASIS_SET_FILE_NAME BASIS_ADMM
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      EXCH_CORRECTION_FUNC NONE
      METHOD BASIS_PROJECTION
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &MGRID
      CUTOFF 100
      REL_CUTOFF 30
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-08
      METHOD GPW
      MIN_PAIR_LIST_RADIUS -1.0
    &END QS
    &SCF
      EPS_SCF 1.0E-8
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 4
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        FRACTION 1.00
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE COULOMB
        &END INTERACTION_POTENTIAL
        &MEMORY
          EPS_STORAGE_SCALING 0.1
          MAX_MEMORY 200
        &END MEMORY
        &SCREENING
          EPS_SCHWARZ 1.0E-6
          SCREEN_ON_INITIAL_P FALSE
        &END SCREENING
      &END HF
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 20.0 20.0 20.0
    &END CELL
    &COORD
      H   0.00  0.00  0.36
      H   0.00  0.00 -0.36
      H   2.50  2.50  0.36
      H   2.50  2.50 -0.36
      H   5.00  5.00  0.36
      H   5.00  5.00 -0.36
      H   7.50  7.50  0.36
      H   7.50  7.50 -0.36
      H  10.00 10.00  0.36
      H  10.00 10.00 -0.36
      H  12.50 12.50  0.36
      H  12.50 12.50 -0.36
      H  15.00 15.00  0.36
      H  15.00 15.00 -0.36
      H  17.50 17.50  0.36
      H  17.50 17.50 -0.36
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      BASIS_SET AUX_FIT cfit3
      POTENTIAL GTH-PADE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
