&GLOBAL
  PRINT_LEVEL LOW
  PROJECT H2O
  RUN_TYPE ENERGY_FORCE
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT_UZH
    POTENTIAL_FILE_NAME POTENTIAL_UZH
    &ENERGY_CORRECTION
      DEBUG_EXTERNAL_METHOD
      ENERGY_FUNCTIONAL EXTERNAL
      ERROR_ESTIMATION
      ERROR_ESTIMATION_METHOD E
      EXTERNAL_RESPONSE_ERROR_FILENAME resp_error
      &RESPONSE_SOLVER
        EPS 1.E-10
        METHOD MO_SOLVER
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END RESPONSE_SOLVER
    &END ENERGY_CORRECTION
    &MGRID
      CUTOFF 300
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MT
    &END POISSON
    &QS
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 4.0 4.0 4.0
      PERIODIC NONE
    &END CELL
    &COORD
      O   0.000000    0.000000    0.000000
      H   0.000000   -0.757136    0.504545
      H   0.000000    0.757136    0.504545
    &END COORD
    &KIND H
      BASIS_SET ORB DZVP-MOLOPT-PBE-GTH-q1
      POTENTIAL GTH-GGA-q1
    &END KIND
    &KIND O
      BASIS_SET ORB DZVP-MOLOPT-PBE-GTH-q6
      POTENTIAL GTH-GGA-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
