&GLOBAL
  PRINT_LEVEL LOW
  PROJECT libvori_test_01
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
      NGRIDS 5
      REL_CUTOFF 40
    &END MGRID
    &PRINT
      &VORONOI
        OUTPUT_EMP
        REFINEMENT_FACTOR 1
        SANITY_CHECK
      &END VORONOI
    &END PRINT
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 15
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_ALL
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-6
        MAX_SCF 20
      &END OUTER_SCF
      &PRINT
        &RESTART
          &EACH
            MD 0
          &END EACH
        &END RESTART
      &END PRINT
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
      &XC_GRID
        XC_DERIV NN10_SMOOTH
        XC_SMOOTH_RHO NN10
      &END XC_GRID
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
    &END CELL
    &COORD
      O         -2.05324        0.38067       -0.16312
      H         -1.33100        0.89052        0.28284
      H         -1.82503       -0.56850        0.00122
      O          1.30380        0.61328        0.87127
      H          1.45893       -0.19270        0.31516
      H          1.53008        1.37137        0.27775
    &END COORD
    &KIND H
      BASIS_SET SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &KIND O
      BASIS_SET SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-BLYP-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
