&GLOBAL
  PRINT_LEVEL LOW
  PROJECT C6H6
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    &ALMO_SCF
      ALMO_ALGORITHM SKIP
      ALMO_SCF_GUESS ATOMIC
      CONSTRUCT_NLMOS TRUE
      DELOCALIZE_METHOD FULL_SCF
      EPS_FILTER 1.0E-09
      MO_OVERLAP_INV_ALG DENSE_CHOLESKY
      RETURN_ORTHOGONALIZED_MOS FALSE
      XALMO_TRIAL_WF SIMPLE
      &NLMO_OPTIMIZER_PCG
        CONJUGATOR ZERO
        EPS_ERROR 0.2
        LIN_SEARCH_EPS_ERROR 0.1
        LIN_SEARCH_STEP_SIZE_GUESS 0.0001
        MAX_ITER 20000
        MAX_ITER_OUTER_LOOP 5
        PRECONDITIONER DEFAULT
        &PENALTY
          DETERMINANT_TOLERANCE 1.0E-8
          FINAL_DETERMINANT 0.5
          OPERATOR PIPEK
          PENALTY_STRENGTH 0.01
          PENALTY_STRENGTH_DECREASE_FACTOR 2.0
          !COMPACTIFICATION_FILTER_START     1.0E-3
          VIRTUAL_NLMOS FALSE
        &END PENALTY
      &END NLMO_OPTIMIZER_PCG
      &XALMO_OPTIMIZER_PCG
        CONJUGATOR HESTENES_STIEFEL
        EPS_ERROR 1.0E-3
        LIN_SEARCH_EPS_ERROR 0.01
        LIN_SEARCH_STEP_SIZE_GUESS 0.2
        MAX_ITER 50
        MAX_ITER_OUTER_LOOP 2
        PRECONDITIONER DEFAULT
      &END XALMO_OPTIMIZER_PCG
    &END ALMO_SCF
    &MGRID
      CUTOFF 200
      NGRIDS 4
    &END MGRID
    &QS
      ALMO_SCF T
      EPS_DEFAULT 1.0E-8
    &END QS
    &XC
      &XC_FUNCTIONAL BLYP
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 9.0 9.0 5.0
    &END CELL
    &COORD
      C 3.5560000000 4.5610000000 0.0000000000
      C 4.5060000000 3.5350000000 0.0000000000
      C 5.8680000000 3.8450000000 0.0000000000
      C 6.2820000000 5.1790000000 0.0000000000
      C 5.3320000000 6.2050000000 0.0000000000
      C 3.9700000000 5.8950000000 0.0000000000
      H 2.5000000000 4.3210000000 0.0000000000
      H 4.1850000000 2.5000000000 0.0000000000
      H 6.6040000000 3.0490000000 0.0000000000
      H 7.3390000000 5.4190000000 0.0000000000
      H 5.6530000000 7.2400000000 0.0000000000
      H 3.2340000000 6.6910000000 0.0000000000
    &END COORD
    &KIND C
      BASIS_SET SZV-GTH
      POTENTIAL GTH-BLYP-q4
    &END KIND
    &KIND H
      BASIS_SET SZV-GTH
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
      &GENERATE
        CREATE_MOLECULES TRUE
      &END GENERATE
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
