&GLOBAL
  PRINT_LEVEL LOW
  PROJECT_NAME H2_NATIVE_SKALA_GAPW_GTH_KP_SPGLIB_STRESS
  RUN_TYPE ENERGY_FORCE
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  STRESS_TENSOR ANALYTICAL
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    MULTIPLICITY 1
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    UKS FALSE
    &KPOINTS
      EPS_SYMMETRY 1.0E-8
      FULL_GRID OFF
      PARALLEL_GROUP_SIZE -1
      SCHEME MONKHORST-PACK 2 2 2
      SYMMETRY ON
      SYMMETRY_BACKEND SPGLIB
      SYMMETRY_REDUCTION_METHOD SPGLIB
      WAVEFUNCTIONS COMPLEX
    &END KPOINTS
    &MGRID
      CUTOFF 80
      REL_CUTOFF 20
    &END MGRID
    &POISSON
      PERIODIC XYZ
    &END POISSON
    &PRINT
      &KPOINTS ON
      &END KPOINTS
    &END PRINT
    &QS
      ALPHA0_HARD 10
      EPSFIT 1.0E-4
      EPSISO 1.0E-12
      EPSRHO0 1.0E-8
      EPSSVD 0.0
      EPS_DEFAULT 1.0E-8
      EPS_GVG 1.0E-6
      EPS_PGF_ORB 1.0E-6
      EXTRAPOLATION USE_PREV_WF
      LMAXN0 2
      LMAXN1 6
      METHOD GAPW
      QUADRATURE GC_LOG
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      IGNORE_CONVERGENCE_FAILURE T
      MAX_SCF 1
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
      &END DIAGONALIZATION
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &GAUXC
          MODEL SKALA
          NATIVE_GRID T
          NATIVE_GRID_ATOM_PARTITION SMOOTH
          NATIVE_GRID_DIAGNOSTICS F
        &END GAUXC
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 4.0 4.0 4.0
      PERIODIC XYZ
    &END CELL
    &COORD
      H 2.0 2.0 1.6
      H 2.0 2.0 2.4
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH
      HARD_EXP_RADIUS 1.5117809071370015011
      LEBEDEV_GRID 50
      POTENTIAL GTH-PBE-q1
      RADIAL_GRID 50
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
