&GLOBAL
  PROJECT H2He_tz2p_lri
  RUN_TYPE MD
  PRINT_LEVEL low
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &DFT
  CHARGE 0
    BASIS_SET_FILE_NAME BASIS_LRI
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      NGRIDS 4
      CUTOFF 280
    &END MGRID
    &POISSON
       PERIODIC NONE
       POISSON_SOLVER MT
    &END
    &QS
      METHOD LRIGPW
    &END QS
    &SCF
      SCF_GUESS atomic
      MAX_SCF 3
      EPS_SCF 1.0E-6
    &DIAGONALIZATION
    &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
 H     0.000000     0.000000     0.000000
 H     0.000000     0.000000     1.008000
He     1.212436     0.000000     0.700000
    &END COORD
    &TOPOLOGY
     &CENTER_COORDINATES
     &END
    &END
    &KIND H
      BASIS_SET adf_tz2p_basis
      POTENTIAL GTH-PADE-q1
      LRI_BASIS_SET adf_tz2p_fit_basis 
    &END KIND
    &KIND He
      BASIS_SET adf_tz2p_basis
      POTENTIAL GTH-PADE-q2
      LRI_BASIS_SET adf_tz2p_fit_basis
    &END KIND
  &END SUBSYS
&END FORCE_EVAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 1
    TIMESTEP 0.5
    TEMPERATURE 300
  &END MD
&END MOTION
