&GLOBAL
  PRINT_LEVEL LOW
  PROJECT_NAME H2P_NATIVE_SKALA_GPW_UKS_PBC_FORCE_DEBUG
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  CHECK_ATOM_FORCE 2 z
  DEBUG_FORCES T
  DEBUG_STRESS_TENSOR F
  DX 1.0E-4
  EPS_NO_ERROR_CHECK 1.0E-3
  STOP_ON_MISMATCH T
&END DEBUG

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    CHARGE 1
    MULTIPLICITY 2
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    UKS TRUE
    &MGRID
      CUTOFF 40
      REL_CUTOFF 10
    &END MGRID
    &POISSON
      PERIODIC XYZ
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-9
      EXTRAPOLATION USE_PREV_WF
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      IGNORE_CONVERGENCE_FAILURE T
      MAX_SCF 7
      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 3.7
      H 2.0 2.0 0.5
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
