Source code for xespresso.post.projwfc

from xespresso.post.base import PostCalculation


class EspressoProjwfc(PostCalculation):

    package = "projwfc"
    package_parameters = {
        "PROJWFC": [
            "prefix",
            "outdir",
            "ngauss",
            "degauss",
            "Emin",
            "Emax",
            "DeltaE",
            "lsym",
            "pawproj",
            "filpdos",
            "filproj",
            "lwrite_overlaps",
            "lbinary_data",
            "kresolveddos",
            "tdosinboxes",
            "n_proj_boxes",
            "irmin(3,n_proj_boxes)",
            "irmax(3,n_proj_boxes)",
            "plotboxes",
        ]
    }

    def __init__(
        self, parent_directory, prefix, queue=False, parallel="", **kwargs
    ) -> None:
        super().__init__(
            parent_directory, prefix, queue=queue, parallel=parallel, **kwargs
        )