&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT read_extxyz_cell
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &SCF
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 1
      SCF_GUESS MOPAC
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      CELL_FILE_FORMAT XYZ
      CELL_FILE_NAME h2o_ext.xyz
    &END CELL
    &KIND H
      BASIS_SET ORB SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE
    &END KIND
    &KIND O
      BASIS_SET ORB SZV-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE
    &END KIND
    &TOPOLOGY
      COORD_FILE_FORMAT XYZ
      COORD_FILE_NAME h2o_ext.xyz
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
