&GLOBAL
  PRINT_LEVEL LOW
  PROJECT_NAME HCl_NATIVE_SKALA_GAPW_ECP_KP_INV_STRESS
  RUN_TYPE ENERGY_FORCE
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  STRESS_TENSOR ANALYTICAL
  &DFT
    MULTIPLICITY 1
    POTENTIAL_FILE_NAME ../regtest-ecp/ECP_BASIS_POT
    UKS FALSE
    &KPOINTS
      EPS_SYMMETRY 1.0E-8
      FULL_GRID OFF
      INVERSION_SYMMETRY_ONLY ON
      PARALLEL_GROUP_SIZE -1
      SCHEME MONKHORST-PACK 2 2 2
      SYMMETRY ON
      SYMMETRY_BACKEND K290
      WAVEFUNCTIONS COMPLEX
    &END KPOINTS
    &MGRID
      CUTOFF 60
      NGRIDS 4
      REL_CUTOFF 10
    &END MGRID
    &POISSON
      PERIODIC XYZ
    &END POISSON
    &PRINT
      &KPOINTS ON
      &END KPOINTS
    &END PRINT
    &QS
      EPS_DEFAULT 1.0E-8
      EXTRAPOLATION USE_PREV_WF
      METHOD GAPW
    &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
      Cl 2.00000 2.00000 1.35000
      H  2.00000 2.00000 2.65000
    &END COORD
    &KIND Cl
      BASIS_SET DZVP-GTH-PADE
      LEBEDEV_GRID 14
      POTENTIAL ECP ccECP
      RADIAL_GRID 20
    &END KIND
    &KIND H
      BASIS_SET DZV-GTH-PADE
      LEBEDEV_GRID 14
      POTENTIAL ECP ccECP
      RADIAL_GRID 20
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
