&GLOBAL
    PROJECT     GRAD_H2O_gpw
    PRINT_LEVEL LOW
    RUN_TYPE    GEO_OPT
    &TIMINGS
        THRESHOLD 0.001
    &END
&END GLOBAL
&MOTION
    &GEO_OPT
        MAX_ITER  1
    &END
&END MOTION
&FORCE_EVAL
    METHOD Quickstep
    &DFT
        BASIS_SET_FILE_NAME  GTH_BASIS_SETS
        BASIS_SET_FILE_NAME  HFX_BASIS
        POTENTIAL_FILE_NAME  POTENTIAL
        &MGRID
            CUTOFF     150
            REL_CUTOFF  30
        &END MGRID
        &QS
            METHOD GPW
            EPS_DEFAULT 1.0E-12
        &END QS
        &SCF
            SCF_GUESS   ATOMIC
            EPS_SCF     1.0E-6
            MAX_SCF     100
        &END SCF
        &XC
            &XC_FUNCTIONAL NONE
            &END XC_FUNCTIONAL
            &HF
                FRACTION 1.0000000
                &SCREENING
                    SCREEN_ON_INITIAL_P .FALSE.
                    EPS_SCHWARZ         1.0E-9
                    EPS_SCHWARZ_FORCES  1.0E-9
                &END SCREENING
                &INTERACTION_POTENTIAL
                    POTENTIAL_TYPE TRUNCATED
                    CUTOFF_RADIUS 2.0
                    T_C_G_DATA t_c_g.dat
                &END
            &END HF
            &WF_CORRELATION
                &RI_MP2
                    BLOCK_SIZE  1
        &END
        &CANONICAL_GRADIENTS
                    EPS_CANONICAL 0.0001
                    FREE_HFX_BUFFER .TRUE.
                    &CPHF
                        EPS_CONV  1.0E-4
                        MAX_ITER  10
                    &END
                &END
                &INTEGRALS
                  &WFC_GPW
                    CUTOFF      100
                    REL_CUTOFF  30
                    EPS_FILTER  1.0E-6
                    EPS_GRID    1.0E-6
                  &END WFC_GPW
                  ERI_METHOD MME
                &END INTEGRALS
                MEMORY       1.00
                NUMBER_PROC  1
            &END
        &END XC
    &END DFT
    &PRINT
        &FORCES
        &END
    &END
    &SUBSYS
        &CELL
            ABC [angstrom]  5.0 5.0 5.0
        &END CELL
        &KIND H
            BASIS_SET         SZV-GTH
            BASIS_SET RI_AUX  RI_DZVP-GTH
            POTENTIAL         GTH-HF-q1
        &END KIND
        &KIND O
            BASIS_SET         SZV-GTH
            BASIS_SET RI_AUX  RI_DZVP-GTH
            POTENTIAL         GTH-HF-q6
        &END KIND
        &COORD
            O       0.000000    0.000000    -0.211000
            H       0.000000   -0.844000     0.495000
            H       0.000000    0.744000     0.495000
        &END
        &TOPOLOGY
            &CENTER_COORDINATES
            &END
        &END TOPOLOGY
    &END SUBSYS
&END FORCE_EVAL
