&GLOBAL
  PRINT_LEVEL LOW
  PROJECT H2O-dft-ls-FORCES
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  CHECK_ATOM_FORCE 1 XYZ
  DEBUG_FORCES YES
  DEBUG_STRESS_TENSOR NO
  STOP_ON_MISMATCH YES
&END DEBUG

&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME POTENTIAL
    &QS
      LS_SCF
    &END QS
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 9.8528 9.8528 9.8528
    &END CELL
    # 32 H2O (TIP5P,1bar,300K) a = 9.8528
    &COORD
      O       2.280398       9.146539       5.088696 H2O
      H       1.762019       9.820429       5.528454 H2O
      H       3.095987       9.107088       5.588186 H2O
    &END COORD
    &KIND H
      BASIS_SET SZV-MOLOPT-GTH
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET SZV-MOLOPT-GTH
      POTENTIAL GTH-PADE-q6
    &END KIND
    &PRINT
      &ATOMIC_COORDINATES OFF
      &END ATOMIC_COORDINATES
      &MOLECULES OFF
      &END MOLECULES
    &END PRINT
  &END SUBSYS
&END FORCE_EVAL
