{
    "workflow": {
        "task": "singlepoint",
        "functional": "ki",
        "base_functional": "lda",
        "method": "dfpt",
        "init_orbitals": "mlwfs",
        "calculate_alpha" : false,
        "alpha_guess": [[0.3580, 0.3641, 0.3640, 0.3641, 0.3571, 0.3577, 0.3577, 0.3573, 0.3573, 0.3580, 0.3641, 0.3640, 0.3641, 0.3571, 0.3577, 0.3577, 0.3573, 0.3573, 0.2158, 0.2323, 0.2344, 0.2343, 0.2158, 0.2323, 0.2344, 0.2343, 0.2231, 0.2231]],
        "pseudo_library": "PseudoDojo/0.4/LDA/SR/standard/upf",
        "gb_correction" : true,
        "eps_inf": 5.3
    },
    "engine": {
        "from_scratch": true,
        "commands": {
            "pw": {
                "npool": 4
            }
        }
    },

    "atoms": {
       "cell_parameters": {
         "periodic": true,
         "ibrav": 4,
         "celldms": {"1": 6.14057, "3": 1.60204}
        },
        "atomic_positions": {
            "units": "crystal",
            "positions": [
                ["Zn", 0.33330, 0.66670, 0.50000 ],
                ["Zn", 0.66670, 0.33330, 0.00000 ],
                ["O" , 0.33330, 0.66670, 0.11725 ],
                ["O" , 0.66670, 0.33330, 0.61725 ]
            ]
        }
    },
    "kpoints": {
        "grid": [
            4,
            4,
            4
        ],
        "path": "ALMGAHK"
    },
    "calculator_parameters": {
        "ecutwfc": 50.0,
        "pw": {
            "system": {
                "nbnd": 52
            }
        },
        "w90": {
            "projections": [
                [{"site": "Zn", "ang_mtm": "l=0"}],
                [{"site": "Zn", "ang_mtm": "l=1"}],
                [{"site": "O", "ang_mtm": "l=0"}],
                [{"site": "Zn", "ang_mtm": "l=2"},
                 {"site": "O", "ang_mtm": "l=1"}],
                [{"site": "Zn", "ang_mtm": "l=0"}]
            ],
            "dis_froz_max": 14.5,
            "dis_win_max": 17.0
        }
    }
}