&GLOBAL
  PRINT_LEVEL LOW
  PROJECT h2o_hb_corr
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  DX 0.001
&END DEBUG

#CPQA INCLUDE DFTB/scc/scc_parameter
#CPQA INCLUDE ../uff_table
#CPQA INCLUDE DFTB/scc/oo.spl
#CPQA INCLUDE DFTB/scc/oh.spl
#CPQA INCLUDE DFTB/scc/ho.spl
#CPQA INCLUDE DFTB/scc/hh.spl
&FORCE_EVAL
  &DFT
    &POISSON
      &EWALD
        ALPHA 0.35
        EWALD_TYPE SPME
        GMAX 25
        O_SPLINE 5
      &END EWALD
    &END POISSON
    &QS
      METHOD DFTB
      &DFTB
        DISPERSION T
        DO_EWALD T
        HB_SR_GAMMA T
        SELF_CONSISTENT T
        &PARAMETER
          HB_SR_PARAM 3.56
          PARAM_FILE_NAME scc_parameter
          PARAM_FILE_PATH DFTB/scc
          UFF_FORCE_FIELD ../uff_table
        &END PARAMETER
      &END DFTB
    &END QS
    &SCF
      MAX_SCF 20
      SCF_GUESS CORE
      &MIXING
        ALPHA 0.2
        METHOD DIRECT_P_MIXING
      &END MIXING
      &PRINT
        &RESTART OFF
        &END RESTART
        &RESTART_HISTORY OFF
        &END RESTART_HISTORY
      &END PRINT
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC 9.865 9.865 9.865
    &END CELL
    &COORD
      O                  -4.583   5.333   1.560   H2O
      H                  -3.777   5.331   0.943   H2O
      H                  -5.081   4.589   1.176   H2O
      O                  -0.083   4.218   0.070   H2O
      H                  -0.431   3.397   0.609   H2O
      H                   0.377   3.756  -0.688   H2O
      O                  -1.488   2.692   4.125   H2O
      H                  -2.465   2.433   3.916   H2O
      H                  -1.268   2.145   4.952   H2O
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
