&GLOBAL
  PROJECT c_27_gPu
  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
      #gamma-Pu & Fddd-D_{2h}^{24} #70 & oF8 & Donohue, Elements, pp. 164-5
      A 0.00000000 2.88410000 5.08100000
      B 1.57935000 0.00000000 5.08100000
      C 1.57935000 2.88410000 0.00000000
    &END CELL
    &COORD
      SCALED
      #replace Pu by Ti
      Ti  0.12500000  0.12500000  0.12500000     0.39483750  0.72102500  1.27025000
      Ti -0.12500000 -0.12500000 -0.12500000    -0.39483750 -0.72102500 -1.27025000
    &END COORD
    &PRINT
      &SYMMETRY
        CHECK_SYMMETRY mmm
      &END SYMMETRY
    &END PRINT
    &TOPOLOGY
      CONNECTIVITY OFF
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
