1&GLOBAL
2  PROJECT o2
3  RUN_TYPE ENERGY
4  PRINT_LEVEL LOW
5&END GLOBAL
6&FORCE_EVAL
7  METHOD QS
8  &DFT
9    LSD
10    BASIS_SET_FILE_NAME BASIS_MINIX
11    POTENTIAL_FILE_NAME POTENTIAL
12    &MGRID
13      CUTOFF 200
14      REL_CUTOFF  30
15    &END MGRID
16    &QS
17      METHOD GAPW
18    &END QS
19    &SCF
20      SCF_GUESS ATOMIC
21      MAX_SCF 1
22      EPS_SCF 1.0e-6
23    &END SCF
24    &XC
25      &XC_FUNCTIONAL NONE
26      &END XC_FUNCTIONAL
27      &HF
28        &SCREENING
29          EPS_SCHWARZ 1.0E-10
30        &END
31      &END
32      &vdW_POTENTIAL
33         DISPERSION_FUNCTIONAL PAIR_POTENTIAL
34         &PAIR_POTENTIAL
35            TYPE DFTD3(BJ)
36            D3BJ_SCALING 1.0000 0.4171 0.8777 2.9149
37            PARAMETER_FILE_NAME dftd3.dat
38            SHORT_RANGE_CORRECTION TRUE
39            SHORT_RANGE_CORRECTION_PARAMETERS 0.03 0.70 1.50 0.75
40            &PRINT_DFTD
41            &END
42         &END PAIR_POTENTIAL
43      &END vdW_POTENTIAL
44      &gcp_potential
45         GLOBAL_PARAMETERS  0.1290 1.1549 1.1763 1.1526
46         DELTA_ENERGY   H    0.04240
47         DELTA_ENERGY   O    0.47901
48         DELTA_ENERGY   C    0.27995
49         DELTA_ENERGY   N    0.35791
50         VERBOSE T
51#        elem   emiss   nbas    elem   emiss   nbas    elem   emiss   nbas
52#          h    0.04240    1      he   0.02832    1      li   0.17787    5
53#          be   0.17160    5      b    0.22424    5      c    0.27995    5
54#          n    0.35791    5      o    0.47901    5      f    0.63852    5
55#          ne   0.83235    5      na   1.11411    9      mg   1.27115    9
56#          al   1.44695   14      si   1.61098   14      p    1.76661   14
57#          s    1.98823   14      cl   2.22845   14      ar   2.48796   14
58#          k    0.37425   11      ca   0.46097   11      sc   0.44489   21
59#          ti   0.40499   21      v    0.37841   21      cr   0.37344   21
60#          mn   0.36125   21      fe   0.36001   21      co   0.36293   21
61#          ni   0.24380   21      cu   0.40530   21      zn   0.39651   21
62#          ga   0.35002   32      ge   0.34578   32      as   0.34953   32
63#          se   0.36731   32      br   0.38201   32      kr   0.39971   32
64      &END GCP_POTENTIAL
65    &END XC
66    &POISSON
67      PERIODIC NONE
68      PSOLVER MT
69    &END
70  &END DFT
71  &SUBSYS
72    &CELL
73      ABC 10.0 10.0 10.0
74      PERIODIC NONE
75    &END CELL
76    &COORD
77       UNIT bohr
78    O     0.000000    0.000000    0.000000
79    O     4.000000    0.000000    0.000000
80    &END COORD
81    &KIND H
82      BASIS_SET minix
83      POTENTIAL ALL
84    &END
85    &KIND C
86      BASIS_SET minix
87      POTENTIAL ALL
88    &END
89    &KIND O
90      BASIS_SET minix
91      POTENTIAL ALL
92    &END
93    &KIND N
94      BASIS_SET minix
95      POTENTIAL ALL
96    &END
97  &END SUBSYS
98&END FORCE_EVAL
99