&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_SET
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 200
    &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
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &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 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

