&GLOBAL
  PRINT_LEVEL LOW
  PROJECT hf-chain
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &ALMO_SCF
      ALMO_ALGORITHM SKIP
      ALMO_SCF_GUESS ATOMIC
      DELOCALIZE_METHOD XALMO_SCF
      EPS_FILTER 1.0E-8
      MO_OVERLAP_INV_ALG LS_HOTELLING
      RETURN_ORTHOGONALIZED_MOS F
      XALMO_ALGORITHM TRUST_REGION
      XALMO_R_CUTOFF_FACTOR 1.2
      XALMO_TRIAL_WF SIMPLE
      &XALMO_OPTIMIZER_TRUSTR
        ALGORITHM DOGLEG
        CONJUGATOR FLETCHER  ! recommended
        EPS_ERROR 5.50E-4
        ETA 0.1
        INITIAL_TRUST_RADIUS 0.1
        MAX_ITER_OUTER_LOOP 200
        MAX_TRUST_RADIUS 2.0
      &END XALMO_OPTIMIZER_TRUSTR
    &END ALMO_SCF
    &MGRID
      CUTOFF 300
      NGRIDS 5
    &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
      @INCLUDE '../regtest-almo-2/FH-chain.cell'
      MULTIPLE_UNIT_CELL 1 1 1
    &END CELL
    &COORD
      @INCLUDE '../regtest-almo-2/FH-chain.xyz'
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &KIND F
      BASIS_SET DZVP-GTH
      POTENTIAL GTH-BLYP-q7
    &END KIND
    &TOPOLOGY
      MULTIPLE_UNIT_CELL 1 1 1
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
