&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &QS
      METHOD PM6
      LS_SCF
      &SE
      &END
    &END QS
    &LS_SCF
      MAX_SCF    50
      EPS_FILTER 1.0E-7
      EPS_SCF    1.0E-7
      MU         0.1
      MIXING_FRACTION 0.35
      S_PRECONDITIONER NONE
      REPORT_ALL_SPARSITIES ON
      MATRIX_CLUSTER_TYPE MOLECULAR
      SINGLE_PRECISION_MATRICES OFF
      PERFORM_MU_SCAN OFF
    &END
  &END DFT
  &SUBSYS
    &CELL
      ABC 15 15 15
    &END CELL
    &TOPOLOGY
      CHARGE_BETA
      CONN_FILE_NAME ../../Fist/sample_psf/ace_ala_nme.psf
      CONNECTIVITY PSF
      COORD_FILE_NAME ../../Fist/sample_crd/ace_ala_nme.crd
      COORDINATE CRD
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT small
! TRACE_MASTER FALSE
! TRACE
  RUN_TYPE ENERGY
  PRINT_LEVEL MEDIUM
  ! EXTENDED_FFT_LENGTHS ! enable for large systems and FFTW
&END GLOBAL
