&GLOBAL
  PRINT_LEVEL LOW
  PROJECT cho-DIIS_LSCF
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    CHARGE 0
    MULTIPLICITY 2
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    UKS
    &LS_SCF
      EPS_DIIS 1.0  ! threshold on convergence to start DIIS (default = 0.1)
      EPS_FILTER 1.0E-7
      EPS_SCF 1.0E-6
      INI_DIIS 2  ! LS_SCF iteration cycle to start DIIS (default = 2)
      LS_DIIS  ! activate DIIS
      MAX_DIIS 4  ! DIIS buffer size (default = 4)
      MAX_SCF 40
      MIXING_FRACTION 0.45
      MU -0.20
      PERFORM_MU_SCAN OFF
      PURIFICATION_METHOD TRS4
      REPORT_ALL_SPARSITIES OFF
      S_PRECONDITIONER ATOMIC
    &END LS_SCF
    &MGRID
      CUTOFF 100
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-12
      LS_SCF
      &DISTRIBUTION
        BASIC_OPTIMIZATION .FALSE.
        BASIC_SPATIAL_OPTIMIZATION .TRUE.
      &END DISTRIBUTION
    &END QS
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
    &END CELL
    &COORD
      C     0.00000000   0.00000000  0.00000000
      O     1.18337200   0.00000000  0.00000000
      H    -0.63151821   0.94387462  0.00000000
    &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
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
