&GLOBAL
PROJECT Ne-test
PRINT_LEVEL LOW
RUN_TYPE MD
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 3
    TIMESTEP 0.5
    TEMPERATURE 300.0
  &END MD
&END MOTION


&FORCE_EVAL
METHOD Quickstep
&DFT
BASIS_SET_FILE_NAME GTH_BASIS_SETS
POTENTIAL_FILE_NAME GTH_POTENTIALS
&MGRID
CUTOFF 300
&END MGRID
&QS
METHOD GAPW
EPS_DEFAULT 1.0E-10
&END QS
&SCF
SCF_GUESS ATOMIC
EPS_SCF 1.0E-6
&END SCF
&XC
&XC_FUNCTIONAL BLYP
&END XC_FUNCTIONAL
&END XC
&END DFT
&SUBSYS
&CELL
ABC 5.0 5.0 5.0
&END CELL
&COORD
Ne 1.0 1.0 1.0
Ne 2.0 2.0 2.0
&END COORD
&KIND Ne
BASIS_SET DZVP-GTH
POTENTIAL_TYPE GTH
&POTENTIAL
2    6    0    0
0.192436979815       2  -26.467390719144    3.909342680543
NLCC     1
0.174828304692       2    11.8456353533878820 6.1472512109006040
1
0.174326878503       1   29.709010143531
&END
&END KIND
&END SUBSYS
&END FORCE_EVAL

