&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2-LIBXC-GAPW-STRESS
  RUN_TYPE ENERGY_FORCE
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  STRESS_TENSOR ANALYTICAL
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    &KG_METHOD
      &XC
        &XC_FUNCTIONAL
          &GGA_K_LLP
          &END GGA_K_LLP
        &END XC_FUNCTIONAL
        &XC_GRID
          XC_DERIV SPLINE2
        &END XC_GRID
      &END XC
    &END KG_METHOD
    &LS_SCF
      EPS_FILTER 1.0E-12
      EPS_SCF 1.0E-6
      MAX_SCF 20
      MU -0.1
      PURIFICATION_METHOD TRS4
    &END LS_SCF
    &MGRID
      CUTOFF 100
      SKIP_LOAD_BALANCE_DISTRIBUTED
      &RS_GRID
        MAX_DISTRIBUTED_LEVEL 5
      &END RS_GRID
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-06
      GAPW_1C_BASIS EXT_SMALL
      GAPW_ACCURATE_XCINT T
      KG_METHOD
      LS_SCF
      METHOD GAPW
    &END QS
    &XC
      &XC_FUNCTIONAL
        &PADE
        &END PADE
      &END XC_FUNCTIONAL
      &XC_GRID
        XC_DERIV SPLINE2
      &END XC_GRID
    &END XC
  &END DFT
  &PRINT
    &FORCES
    &END FORCES
    &STRESS_TENSOR
      COMPONENTS
    &END STRESS_TENSOR
  &END PRINT
  &SUBSYS
    &CELL
      ABC 4.0 4.0 12.0
    &END CELL
    &COORD
      H 0.0 0.0 8.0 H2_1
      H 0.8 0.0 8.0 H2_1
      H 0.0 0.0 4.0 H2_2
      H 0.8 0.0 4.0 H2_2
      H 0.0 0.0 0.0 H2_3
      H 0.8 0.0 0.0 H2_3
    &END COORD
    &KIND H
      BASIS_SET DZVP-ALL-PADE
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
