
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    CHARGE +1
    &MGRID
      CUTOFF 300
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MULTIPOLE
      &MULTIPOLE
        EWALD_PRECISION 0.00000001
        RCUT 3.0
      &END MULTIPOLE
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-12
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
    &END CELL
    &COORD
    H   5.0000  5.0000  5.0000
    &END COORD
    &KIND H
      BASIS_SET DZV-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL

  PROJECT H2O
  PRINT_LEVEL MEDIUM
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 0
    TIMESTEP 0.1
    TEMPERATURE 300.0
  &END MD
&END MOTION
