&GLOBAL
  PROJECT h2o_pbc
  RUN_TYPE ENERGY 
  PRINT_LEVEL MEDIUM
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep              ! Electronic structure method (DFT,...)
  &DFT
    BASIS_SET_FILE_NAME  BASIS_MOLOPT
    POTENTIAL_FILE_NAME  POTENTIAL

    &POISSON                    ! Solver requested for non periodic calculations
      PERIODIC XYZ
    &END POISSON
    &SCF                        ! Parameters controlling the convergence of the SCF. This section should not be changed. 
      SCF_GUESS ATOMIC
      EPS_SCF 1.0E-6
      MAX_SCF 300
    &END SCF
    &XC                         ! Parameters needed to compute the electronic exchange potential 
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT

  &SUBSYS
    &CELL
      ABC 10. 10. 10.
      PERIODIC XYZ
    &END CELL
    &TOPOLOGY                    ! Section used to center the atomic coordinates in the given box. Useful for big molecules
      COORD_FILE_FORMAT xyz
      COORD_FILE_NAME  ./h2o.xyz
      &CENTER_COORDINATES
        CENTER_POINT 5. 5. 5.
      &END
    &END
    &KIND H
      ELEMENT H
      BASIS_SET TZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND O
      ELEMENT O
      BASIS_SET TZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL