Source code for ase2sprkkr.input_parameters.definitions.scf

"""SCF task input parameters definition"""

from .sections import CONTROL, TAU, ENERGY, SCF, SITES, STRCONST, CPA, MODE, TASK
from ..input_parameters_definitions import InputParametersDefinition as InputParameters
#   ,InputValueDefinition as V




def input_parameters():
    return InputParameters(
        "scf",
        [CONTROL("SCF"), TASK("SCF"), TAU, ENERGY(), SCF, SITES, STRCONST, CPA, MODE],
        info="SCF - Calculate a self-consistent potential",
        description="",
        executable="kkrscf",
        mpi=True,
    )



""" SCF task input parameters definition"""