&GLOBAL
  PRINT_LEVEL LOW
  PROJECT h2o-admm-gapw-pbe-fine-full-stress-1
  RUN_TYPE ENERGY_FORCE
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  STRESS_TENSOR ANALYTICAL
  &DFT
    BASIS_SET_FILE_NAME BASIS_ccGRB_UZH
    BASIS_SET_FILE_NAME BASIS_ADMM_UZH
    POTENTIAL_FILE_NAME POTENTIAL_UZH
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      EXCH_SCALING_MODEL MERLOT
      METHOD BASIS_PROJECTION
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &MGRID
      CUTOFF 100
      REL_CUTOFF 40
    &END MGRID
    &QS
      ALPHA_WEIGHTS 6.0
      EPS_DEFAULT 1.0E-12
      GAPW_ACCURATE_XCINT T
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        FRACTION 1.0
        &INTERACTION_POTENTIAL
          CUTOFF_RADIUS 2.0
          POTENTIAL_TYPE TRUNCATED
        &END INTERACTION_POTENTIAL
        &SCREENING
          EPS_SCHWARZ 1.0E-10
          EPS_SCHWARZ_FORCES 1.0E-10
        &END SCREENING
      &END HF
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
      &XC_GRID
        FINE_GRID_FACTOR 2.0
        USE_FINER_GRID
      &END XC_GRID
    &END XC
  &END DFT
  &PRINT
    &STRESS_TENSOR
      COMPONENTS
    &END STRESS_TENSOR
  &END PRINT
  &SUBSYS
    &CELL
      A 4.5 0.0 0.0
      B 0.25 4.6 0.0
      C 0.15 0.35 4.7
    &END CELL
    &COORD
      O   0.110000    0.170000   -0.035587
      H   0.260000   -0.627136    0.560545
      H  -0.180000    0.897136    0.430545
    &END COORD
    &KIND H
      BASIS_SET ccGRB-D-q1
      BASIS_SET AUX_FIT admm-dz-q1
      POTENTIAL GTH-HYB-q1
    &END KIND
    &KIND O
      BASIS_SET ccGRB-D-q6
      BASIS_SET AUX_FIT admm-dz-q6
      POTENTIAL GTH-HYB-q6
    &END KIND
    &TOPOLOGY
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
