#CPQA DEPENDS basis_none_1.inp

&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-8
    &END QS
    &SCF
      SCF_GUESS RESTART
      EPS_SCF 1.0E-3
      MAX_SCF 10
      &OT
      &END
    &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
    O   0.000000    0.000000   -0.065587
    H   0.000000   -0.757136    0.520545
    H   0.000000    0.757136    0.520545
    Ne  2.0         2.0         2.0
    &END COORD
    &KIND Ne
      GHOST
      BASIS_SET NONE
    &END KIND
    &KIND H
      BASIS_SET DZVP-GTH-BLYP
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-BLYP
      POTENTIAL GTH-BLYP-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2O-NONE
  RUN_TYPE MD
  PRINT_LEVEL DEBUG
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 3
    TIMESTEP 0.5
    TEMPERATURE 300.0
  &END MD
&END MOTION
&EXT_RESTART
 RESTART_FILE_NAME H2O-NONE-1.restart
&END
