1&FORCE_EVAL
2  &DFT
3    BASIS_SET_FILE_NAME GTH_BASIS_SETS
4    POTENTIAL_FILE_NAME POTENTIAL
5    &MGRID
6      CUTOFF 120
7      REL_CUTOFF 30
8    &END MGRID
9    &QS
10      METHOD GPW
11      EPS_DEFAULT 1.0E-14
12      EXTRAPOLATION USE_PREV_RHO_R
13    &END QS
14    &SCF
15      EPS_SCF 1.0E-4
16      SCF_GUESS ATOMIC
17      MAX_SCF  20
18      &MIXING
19          METHOD BROYDEN_MIXING
20          ALPHA   0.50
21      &END
22      CHOLESKY OFF
23      EPS_EIGVAL 1.e-5
24    &END SCF
25    &XC
26      &XC_FUNCTIONAL PADE
27      &END XC_FUNCTIONAL
28    &END XC
29    &KPOINTS
30       SCHEME  MONKHORST-PACK  2 2 2
31       SYMMETRY ON
32       WAVEFUNCTIONS COMPLEX
33       EPS_GEO 1.e-8
34       FULL_GRID ON
35       VERBOSE F
36       PARALLEL_GROUP_SIZE  0
37    &END KPOINTS
38  &END DFT
39  &SUBSYS
40    &CELL
41      ABC 3.56683 3.56683 3.56683
42    &END CELL
43    &COORD
44     SCALED
45     C     0.100000    0.000000    0.000000
46     C     0.500000    0.500000    0.000000
47     C     0.500000    0.000000    0.500000
48     C     0.000000    0.500000    0.500000
49     C     0.250000    0.250000    0.250000
50     C     0.250000    0.750000    0.750000
51     C     0.750000    0.250000    0.750000
52     C     0.750000    0.750000    0.250000
53    &END COORD
54    &KIND C
55      BASIS_SET SZV-GTH
56      POTENTIAL GTH-PADE-q4
57    &END KIND
58  &END SUBSYS
59&END FORCE_EVAL
60&GLOBAL
61  PROJECT C
62  RUN_TYPE GEO_OPT
63  PRINT_LEVEL LOW
64&END GLOBAL
65&MOTION
66   &GEO_OPT
67      OPTIMIZER LBFGS
68      MAX_ITER  2
69   &END
70&END
71
72