&GLOBAL
  PRINT_LEVEL LOW
  PROJECT o2
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME BASIS_MINIX
    LSD
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END POISSON
    &QS
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0e-6
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 1
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &GCP_POTENTIAL
        DELTA_ENERGY H 0.04240
        DELTA_ENERGY O 0.47901
        DELTA_ENERGY C 0.27995
        DELTA_ENERGY N 0.35791
        GLOBAL_PARAMETERS 0.1290 1.1549 1.1763 1.1526
        VERBOSE T
        #        elem   emiss   nbas    elem   emiss   nbas    elem   emiss   nbas
        #          h    0.04240    1      he   0.02832    1      li   0.17787    5
        #          be   0.17160    5      b    0.22424    5      c    0.27995    5
        #          n    0.35791    5      o    0.47901    5      f    0.63852    5
        #          ne   0.83235    5      na   1.11411    9      mg   1.27115    9
        #          al   1.44695   14      si   1.61098   14      p    1.76661   14
        #          s    1.98823   14      cl   2.22845   14      ar   2.48796   14
        #          k    0.37425   11      ca   0.46097   11      sc   0.44489   21
        #          ti   0.40499   21      v    0.37841   21      cr   0.37344   21
        #          mn   0.36125   21      fe   0.36001   21      co   0.36293   21
        #          ni   0.24380   21      cu   0.40530   21      zn   0.39651   21
        #          ga   0.35002   32      ge   0.34578   32      as   0.34953   32
        #          se   0.36731   32      br   0.38201   32      kr   0.39971   32
      &END GCP_POTENTIAL
      &HF
        &SCREENING
          EPS_SCHWARZ 1.0E-6
        &END SCREENING
      &END HF
      &VDW_POTENTIAL
        DISPERSION_FUNCTIONAL PAIR_POTENTIAL
        &PAIR_POTENTIAL
          D3BJ_SCALING 1.0000 0.4171 0.8777 2.9149
          PARAMETER_FILE_NAME dftd3.dat
          REFERENCE_FUNCTIONAL PBE  ! will be ignored since parameters are set explicitly
          SHORT_RANGE_CORRECTION TRUE
          SHORT_RANGE_CORRECTION_PARAMETERS 0.03 0.70 1.50 0.75
          TYPE DFTD3(BJ)
          &PRINT_DFTD
          &END PRINT_DFTD
        &END PAIR_POTENTIAL
      &END VDW_POTENTIAL
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
      UNIT bohr
      O     0.000000    0.000000    0.000000
      O     4.000000    0.000000    0.000000
    &END COORD
    &KIND H
      BASIS_SET minix
      POTENTIAL ALL
    &END KIND
    &KIND C
      BASIS_SET minix
      POTENTIAL ALL
    &END KIND
    &KIND O
      BASIS_SET minix
      POTENTIAL ALL
    &END KIND
    &KIND N
      BASIS_SET minix
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
