&GLOBAL
  PROJECT ch4-DIIS_LSCF
  PRINT_LEVEL LOW
  RUN_TYPE ENERGY
&END GLOBAL
&FORCE_EVAL
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_SET
    POTENTIAL_FILE_NAME ../../../data/GTH_POTENTIALS
    &MGRID
      CUTOFF 100
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      LS_SCF
      &DISTRIBUTION
        BASIC_OPTIMIZATION .FALSE.
        BASIC_SPATIAL_OPTIMIZATION .TRUE.
      &END
    &END QS
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
    &LS_SCF
      LS_DIIS       ! activate DIIS
      INI_DIIS 2    ! LS_SCF iteration cycle to start DIIS (default = 2)
      MAX_DIIS 4    ! DIIS buffer size (default = 4)
      EPS_DIIS 1.0  ! threshold on convergence to start DIIS (default = 0.1)
      MAX_SCF  40
      EPS_FILTER 1.0E-7
      EPS_SCF    1.0E-6
      MU        -0.20
      PURIFICATION_METHOD TRS4
      MIXING_FRACTION 0.45
      S_PRECONDITIONER ATOMIC
      REPORT_ALL_SPARSITIES OFF
      PERFORM_MU_SCAN OFF
    &END
   &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
    &END CELL
    &COORD
     C  -0.000367    0.000000    0.000481
     H   0.638760   -0.000080    0.888272
     H   0.207743    0.893069   -0.597225
     H   0.207729   -0.892972   -0.597375
     H  -1.052031   -0.000017    0.303441
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND C
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q4
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
