&GLOBAL
  PROJECT hf-chain
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
&FORCE_EVAL
  METHOD QS
  &DFT
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    &QS
      ALMO_SCF T
      EPS_DEFAULT 1.0E-8
    &END QS

    &ALMO_SCF

      EPS_FILTER                    1.0E-8
      ALMO_ALGORITHM                SKIP
      ALMO_SCF_GUESS                ATOMIC
      MO_OVERLAP_INV_ALG            LS_HOTELLING
      RETURN_ORTHOGONALIZED_MOS     F
      XALMO_R_CUTOFF_FACTOR         1.2

      XALMO_ALGORITHM               TRUST_REGION
      XALMO_TRIAL_WF                SIMPLE
      DELOCALIZE_METHOD             XALMO_SCF

      &XALMO_OPTIMIZER_TRUSTR
        ALGORITHM                   DOGLEG
        MAX_ITER_OUTER_LOOP         200
        EPS_ERROR                   5.50E-4
        CONJUGATOR                  FLETCHER ! recommended
        ETA                         0.1
        INITIAL_TRUST_RADIUS        0.1
        MAX_TRUST_RADIUS            2.0
      &END XALMO_OPTIMIZER_TRUSTR

    &END ALMO_SCF

    &MGRID
      CUTOFF 300
      NGRIDS 5
    &END MGRID
    &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
    &TOPOLOGY
      MULTIPLE_UNIT_CELL 1 1 1
    &END
    &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
  &END SUBSYS
&END FORCE_EVAL

