1&GLOBAL
2  PROJECT  G0W0_H2O_PBE_periodic
3  PRINT_LEVEL MEDIUM
4  RUN_TYPE ENERGY
5  &TIMINGS
6     THRESHOLD 0.01
7  &END
8&END GLOBAL
9&FORCE_EVAL
10  METHOD Quickstep
11  &DFT
12    BASIS_SET_FILE_NAME  HFX_BASIS
13    POTENTIAL_FILE_NAME  GTH_POTENTIALS
14    &MGRID
15      CUTOFF  100
16      REL_CUTOFF  20
17    &END MGRID
18    &POISSON
19      PERIODIC NONE
20      POISSON_SOLVER WAVELET
21    &END POISSON
22    &QS
23      METHOD GPW
24      EPS_DEFAULT 1.0E-15
25      EPS_PGF_ORB 1.0E-30
26    &END QS
27    &SCF
28      SCF_GUESS ATOMIC
29      EPS_SCF 1.0E-7
30      MAX_SCF 100
31      &PRINT
32        &RESTART OFF
33        &END
34      &END
35    &END SCF
36    &XC
37      &XC_FUNCTIONAL PBE
38        &PBE
39          SCALE_X 1.0000000
40          SCALE_C 1.0000000
41        &END
42      &END XC_FUNCTIONAL
43      &WF_CORRELATION
44        &INTEGRALS
45        &WFC_GPW
46          CUTOFF  100
47          REL_CUTOFF 20
48        &END WFC_GPW
49        &END INTEGRALS
50        &RI_RPA
51          &HF
52            FRACTION 1.0000000
53            &SCREENING
54              EPS_SCHWARZ 1.0E-8
55              SCREEN_ON_INITIAL_P FALSE
56            &END SCREENING
57          &END HF
58          RPA_NUM_QUAD_POINTS 40
59          &GW
60            CORR_MOS_OCC          10
61            CORR_MOS_VIRT         10
62            ANALYTIC_CONTINUATION TWO_POLE
63            NUMB_POLES            2
64            CROSSING_SEARCH       Z_SHOT
65            FERMI_LEVEL_OFFSET    2.0E-2
66            EV_GW_ITER            3
67            PERIODIC
68            &PERIODIC
69              KPOINTS 12 12 12
70              NUM_KP_GRIDS 1
71              EXTRAPOLATE
72              DO_AUX_BAS_GW
73            &END PERIODIC
74          &END GW
75        &END RI_RPA
76        MEMORY  200.
77        NUMBER_PROC  1
78      &END
79    &END XC
80  &END DFT
81  &SUBSYS
82    &CELL
83      ABC [angstrom]  3.500   3.500  3.500
84      PERIODIC NONE
85    &END CELL
86    &KIND H
87      BASIS_SET          cc-TZV2P-GTH
88      BASIS_SET RI_AUX   RI_DZVP-GTH
89      BASIS_SET AUX_GW   DZVP-GTH
90      POTENTIAL  GTH-PBE-q1
91    &END KIND
92    &KIND O
93      BASIS_SET          DZVP-GTH
94      BASIS_SET RI_AUX   RI_DZVP-GTH
95      BASIS_SET AUX_GW   DZVP-GTH
96      POTENTIAL  GTH-PBE-q6
97    &END KIND
98    &TOPOLOGY
99      COORD_FILE_NAME  H2O_gas.xyz
100      COORD_FILE_FORMAT xyz
101      &CENTER_COORDINATES
102      &END
103    &END TOPOLOGY
104  &END SUBSYS
105&END FORCE_EVAL
106