&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT cuttoff-test
  RUN_TYPE ENERGY_FORCE
&END GLOBAL


&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    WFN_RESTART_FILE_NAME ../cuttoff-test-RESTART.wfn
    CHARGE 0
    MULTIPLICITY 1
    &MGRID
      NGRIDS 4
      CUTOFF LT_cutoff
      REL_CUTOFF LT_rel_cutoff
    &END
    &QS
      EPS_DEFAULT 1.0E-12
      METHOD GPW
    &END

    &SCF
      SCF_GUESS RESTART
      EPS_SCF 5.e-7
      MAX_SCF 15
      &OT
        PRECONDITIONER FULL_ALL
        MINIMIZER DIIS
      &END OT
      &OUTER_SCF
        EPS_SCF 5.0E-7
        MAX_SCF 1
      &END OUTER_SCF
    &END SCF

    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
      &XC_GRID
        ! defaults
        XC_SMOOTH_RHO NONE
        XC_DERIV PW
      &END XC_GRID
    &END XC

  &END DFT
  &SUBSYS
    &CELL
      ABC 9.8528 9.8528 9.8528
      PERIODIC XYZ
    &END CELL

    &KIND H
      BASIS_SET DZVP-MOLOPT-SR-GTH-q1
      POTENTIAL GTH-PBE-q1
    &END

    &KIND O
      BASIS_SET DZVP-MOLOPT-SR-GTH-q6
      POTENTIAL GTH-PBE-q6
    &END KIND

    &TOPOLOGY
      COORDINATE XYZ
      COORD_FILE_NAME ../structure.xyz
      CONNECTIVITY OFF
    &END TOPOLOGY
  &END SUBSYS

  &PRINT
    &FORCES
    &END
  &END
&END FORCE_EVAL