&GLOBAL
  PROJECT  c8_pmix_gapw_all
  PRINT_LEVEL MEDIUM
  RUN_TYPE ENERGY
  FLUSH_SHOULD_FLUSH
&END GLOBAL

&FORCE_EVAL
  METHOD QS
  &PRINT
    &FORCES ON
    &END
  &END
  &DFT
    BASIS_SET_FILE_NAME ../../../data/EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    LSD
    &MGRID
      NGRIDS 4
      CUTOFF 100
    &END MGRID
    &QS
      METHOD GAPW
      MAP_CONSISTENT
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 2
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      MAX_SCF   500
      EPS_SCF 5.0e-2
      EPS_DIIS 5.0e-4
      &MIXING
          METHOD DIRECT_P_MIXING
          ALPHA 0.05
      &END
      ADDED_MOS   20 20
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
    &PRINT
      &MO
        &EACH
          QS_SCF 100
        &END
        EIGENVALUES
        OCCUPATION_NUMBERS
      &END
##      &MO_CUBES
##        NHOMO  64
##        NLUMO 20
##        WRITE_CUBE F
##      &END
    &END
  &END DFT

  &SUBSYS
    &CELL
       ABC   5.42858871335 5.42858871335 5.42858871335
    &END CELL

    &KIND  C
      BASIS_SET  6-31Gxx
      POTENTIAL  ALL
    &END

    &TOPOLOGY
      COORD_FILE_NAME ../sample_xyz/C_8.xyz 
      COORDINATE XYZ
      CONNECTIVITY OFF
    &END TOPOLOGY

  &END SUBSYS
&END FORCE_EVAL

