1
2&GLOBAL
3  PROJECT h2-gapw-1
4  PRINT_LEVEL LOW
5  RUN_TYPE LINEAR_RESPONSE
6  PREFERRED_DIAG_LIBRARY SL
7&END GLOBAL
8&FORCE_EVAL
9  &DFT
10    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
11    POTENTIAL_FILE_NAME POTENTIAL
12    &MGRID
13      CUTOFF 100
14    &END MGRID
15    &QS
16      METHOD GAPW
17    &END QS
18    &SCF
19      MAX_SCF 1
20    &END SCF
21    &XC
22      &XC_FUNCTIONAL BLYP
23      &END XC_FUNCTIONAL
24    &END XC
25  &END DFT
26  &PROPERTIES
27    &LINRES
28       &LOCALIZE
29          MAX_ITER 1
30       &END
31       PRECONDITIONER FULL_ALL
32       MAX_ITER 1
33       &CURRENT
34          ORBITAL_CENTER COMMON
35       &END CURRENT
36       &NMR
37       &END
38    &END
39  &END
40  &SUBSYS
41    &CELL
42      ABC 5.0 5.0 5.0
43    &END CELL
44    &KIND H
45      LEBEDEV_GRID 10
46      RADIAL_GRID 20
47      BASIS_SET 3-21G*
48      POTENTIAL ALL
49      HARD_EXP_RADIUS 0.8
50    &END KIND
51    &COORD
52 H   0.000000    0.000000    0.373334
53 H   0.000000    0.000000   -0.373334
54    &END COORD
55  &END SUBSYS
56&END FORCE_EVAL
57