&GLOBAL
  PROJECT c_32_aPo
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &QS
      METHOD PM6
      &SE
      &END SE
    &END QS
    &SCF
      MAX_SCF 0
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      #Po & Pm(-3)m-O_h^1 #221 & cP1 & A_h & Kittel, 23
      A 3.34000000 0.00000000 0.00000000
      B 0.00000000 3.34000000 0.00000000
      C 0.00000000 0.00000000 3.34000000
    &END CELL
    &COORD
      SCALED
      #replace Po by Ni
      Ni  0.00000000  0.00000000  0.00000000     0.00000000  0.00000000  0.00000000
    &END COORD
    &PRINT
      &SYMMETRY
        CHECK_SYMMETRY m<3>m
      &END SYMMETRY
    &END PRINT
    &TOPOLOGY
      CONNECTIVITY OFF
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
