&GLOBAL
  PRINT_LEVEL LOW
  PROJECT H2_H2O_KSKGeH_AO_an
  RUN_TYPE CELL_OPT
  &TIMINGS
    THRESHOLD 0.01
  &END TIMINGS
&END GLOBAL

&MOTION
  &CELL_OPT
    MAX_ITER 1
  &END CELL_OPT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  STRESS_TENSOR ANALYTICAL
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    &ENERGY_CORRECTION
      ALGORITHM TRS4
      ENERGY_FUNCTIONAL HARRIS
      HARRIS_BASIS HARRIS
      &RESPONSE_SOLVER
        !EPS 1.0E-6
        !EPS_FILTER 1.0E-8
        METHOD AO_ORTHO
        PRECONDITIONER MULTI_LEVEL
      &END RESPONSE_SOLVER
      &XC
        &XC_FUNCTIONAL BLYP
        &END XC_FUNCTIONAL
      &END XC
    &END ENERGY_CORRECTION
    &KG_METHOD
      TNADD_METHOD EMBEDDING
      &XC
        &XC_FUNCTIONAL
          &KE_GGA
            FUNCTIONAL PBE
          &END KE_GGA
        &END XC_FUNCTIONAL
      &END XC
    &END KG_METHOD
    &MGRID
      CUTOFF 50
      REL_CUTOFF 20
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
      EPS_KG_ORB 1.0E-6
      KG_METHOD
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &PBE
        &END PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PRINT
    &FORCES
    &END FORCES
    &STRESS_TENSOR
      COMPONENTS
    &END STRESS_TENSOR
  &END PRINT
  &SUBSYS
    &CELL
      ABC [angstrom] 6.0 6.0 6.0
    &END CELL
    &COORD
      O   0.000000    0.000000   -0.065587 H2O
      H   0.000000   -0.757136    0.520545 H2O
      H   0.000000    0.757136    0.520545 H2O
      H   2.000000    2.500000    0.000000 H2
      H   2.000000   -2.500000    0.000000 H2
    &END COORD
    &KIND H
      BASIS_SET SZV-GTH
      BASIS_SET HARRIS SZV-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      BASIS_SET SZV-GTH
      BASIS_SET HARRIS SZV-GTH
      POTENTIAL GTH-PBE-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
