&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT small
  ! TRACE_MASTER FALSE
  ! TRACE
  RUN_TYPE ENERGY
  ! EXTENDED_FFT_LENGTHS ! enable for large systems and FFTW
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &LS_SCF
      EPS_FILTER 1.0E-7
      EPS_SCF 1.0E-7
      MATRIX_CLUSTER_TYPE ATOMIC
      MAX_SCF 50
      MIXING_FRACTION 0.35
      MU 0.1
      PERFORM_MU_SCAN OFF
      REPORT_ALL_SPARSITIES ON
      S_PRECONDITIONER NONE
    &END LS_SCF
    &QS
      LS_SCF
      METHOD PM6
      &SE
      &END SE
    &END QS
  &END DFT
  &SUBSYS
    &CELL
      ABC 15 15 15
    &END CELL
    &TOPOLOGY
      CHARGE_BETA
      CONNECTIVITY PSF
      CONN_FILE_NAME ../../Fist/sample_psf/ace_ala_nme.psf
      COORDINATE CRD
      COORD_FILE_NAME ../../Fist/sample_crd/ace_ala_nme.crd
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
