&GLOBAL
  PROJECT run-corr_dipm-RKS
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    CHARGE 0
    CORE_CORR_DIP TRUE
    MULTIPLICITY 1
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    SURFACE_DIPOLE_CORRECTION TRUE
    SURF_DIP_DIR Z
    SURF_DIP_POS 22.650
    &POISSON
      PERIODIC XYZ
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-8
      METHOD GPW
    &END QS
    &SCF
      ADDED_MOS 10
      EPS_SCF 1.0E-4
      MAX_SCF 100
      SCF_GUESS ATOMIC
      &DIAGONALIZATION
        ALGORITHM STANDARD  ! Do not change
      &END DIAGONALIZATION
      &MIXING
        METHOD BROYDEN_MIXING
      &END MIXING
      &OUTER_SCF
        EPS_SCF 1.0E-4
        MAX_SCF 10
      &END OUTER_SCF
      &PRINT
        &RESTART OFF
        &END RESTART
        &RESTART_HISTORY OFF
        &END RESTART_HISTORY
      &END PRINT
      &SMEAR
        METHOD ENERGY_WINDOW
        WINDOW_SIZE 0.0037
      &END SMEAR
    &END SCF
    &XC
      &XC_FUNCTIONAL
        &PADE
        &END PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 3.192 5.529 28.650
      PERIODIC XYZ
    &END CELL
    &KIND Mg
      BASIS_SET DZVP-GTH-PADE-q2
      POTENTIAL GTH-PADE-q2
    &END KIND
    &KIND pNe
      BASIS_SET SZV-GTH-PADE
      CORE_CORRECTION -0.0001
      ELEMENT Ne
      POTENTIAL GTH-PADE
    &END KIND
    &TOPOLOGY
      COORD_FILE_FORMAT XYZ
      COORD_FILE_NAME coord2Mg2Ne.xyz
      &CENTER_COORDINATES FALSE
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
