# should give a real energy conserving md.
# i.e. about 1.0E-7 fluctuations in the constant of motion
# for this the very small timestep is needed

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-14
    &END QS
    &SCF
      EPS_SCF 1.0E-7
      &MIXING
        METHOD DIRECT_P_MIXING
        ALPHA 0.6
      &END
      SCF_GUESS RESTART
    &END SCF
    &XC
      &XC_FUNCTIONAL pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
    &END CELL
    &COORD
    H   0.0 0.0 0.85
    H   0.0 0.0 0.0
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL

  PROJECT H2-md
  RUN_TYPE MD
  PRINT_LEVEL LOW
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 1000
    TIMESTEP 0.01
    TEMPERATURE 300.0
  &END MD
&END MOTION
