1&FORCE_EVAL
2  METHOD Quickstep
3  &DFT
4    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
5    POTENTIAL_FILE_NAME POTENTIAL
6    &MGRID
7      CUTOFF 200
8      REL_CUTOFF 50
9    &END MGRID
10    &QS
11      METHOD GAPW
12    &END QS
13    &SCF
14      EPS_SCF 1.0E-6
15      SCF_GUESS ATOMIC
16      MAX_SCF 50
17    &END SCF
18    &XC
19      &XC_FUNCTIONAL NONE
20      &END XC_FUNCTIONAL
21      &HF
22        &SCREENING
23          EPS_SCHWARZ 1.0E-7
24          SCREEN_ON_INITIAL_P FALSE
25        &END
26        &INTERACTION_POTENTIAL
27          POTENTIAL_TYPE TRUNCATED
28          CUTOFF_RADIUS 1.0
29          T_C_G_DATA t_c_g.dat
30        &END
31        &MEMORY
32          MAX_MEMORY 10
33        &END
34      &END
35    &END XC
36  &END DFT
37  &SUBSYS
38    &CELL
39      ABC 5.0 5.0 5.0
40    &END CELL
41    &COORD
42    O   0.000000    0.000000   -0.065587
43    H   0.000000   -0.757136    0.520545
44    H   0.000000    0.757136    0.520545
45    &END COORD
46    &KIND H
47      BASIS_SET 3-21Gx
48      POTENTIAL ALL
49    &END KIND
50    &KIND O
51      BASIS_SET 3-21Gx
52      POTENTIAL ALL
53    &END KIND
54  &END SUBSYS
55&END FORCE_EVAL
56&GLOBAL
57  PROJECT H2O-trunc-auto-md
58  PRINT_LEVEL MEDIUM
59  RUN_TYPE MD
60&END GLOBAL
61&MOTION
62 &MD
63   TEMPERATURE 0.1
64   TIMESTEP 0.5
65   STEPS    3
66 &END
67&END
68