&GLOBAL
  PROJECT H2_pao_fock_checkforces
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  DEBUG_FORCES YES
  STOP_ON_MISMATCH YES
&END DEBUG

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &LS_SCF
      EPS_SCF 1.0E-8
      EXTRAPOLATION_ORDER 1
      MAX_SCF 25
      PURIFICATION_METHOD TRS4
      REPORT_ALL_SPARSITIES OFF
      S_PRECONDITIONER NONE
      &PAO
        MAX_PAO 0
        PARAMETERIZATION FOCK
      &END PAO
    &END LS_SCF
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END POISSON
    &QS
      LS_SCF
    &END QS
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 4.0 4.0 4.0
      PERIODIC NONE
    &END CELL
    &COORD
      H       0.72  0.0   0.0
      H       0.0   0.0   0.0
    &END COORD
    &KIND H
      BASIS_SET DZVP-MOLOPT-SR-GTH
      PAO_BASIS_SIZE 1
      POTENTIAL GTH-PBE
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL

#EOF