&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 50
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &SCF
      SCF_GUESS atomic
      MAX_SCF 30
      EPS_SCF 1.0E-6
      &OUTER_SCF
        MAX_SCF 10
        EPS_SCF 1.0E-6
      &END
      &OT
      &END
    &END SCF
    &AUXILIARY_DENSITY_MATRIX_METHOD
      METHOD BASIS_PROJECTION
      ADMM_PURIFICATION_METHOD NONE
    &END
     &XC
       &XC_FUNCTIONAL
         &PBE
           SCALE_X 0.75
           SCALE_C 1.0
         &END
       &END XC_FUNCTIONAL
       &HF
         FRACTION  0.25
         &SCREENING
           EPS_SCHWARZ 1.0E-7
           SCREEN_ON_INITIAL_P  FALSE
         &END SCREENING
         &INTERACTION_POTENTIAL
           POTENTIAL_TYPE TRUNCATED
           CUTOFF_RADIUS  2.5
           T_C_G_DATA t_c_g.dat
         &END
         &MEMORY
           MAX_MEMORY 10
         &END
       &END HF
     &END XC
  &END DFT
  &SUBSYS
    # cell and coords such that the overlap matrix is first dense
    &CELL
      ABC 6.0 6.0 30.0
    &END CELL
    &COORD
    Ar     0.000000  0.000000  0.000000
    Ar     0.000000  0.000000  2.000000
    &END COORD
    &KIND Ar
      BASIS_SET ORB DZVP-GTH-PADE
      BASIS_SET AUX_FIT DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q8
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT Ar-ref-2
  RUN_TYPE MD
  PRINT_LEVEL MEDIUM
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE REFTRAJ
    STEPS 2
    # next MD step, overlap matrix will be sparse
    &REFTRAJ
      TRAJ_FILE_NAME Ar-ref-2.xyz
      EVAL_ENERGY_FORCES T
    &END
  &END MD
&END MOTION

