Source code for ase2sprkkr.input_parameters.definitions.dos

"""DOS task input parameters definition"""

from .sections import CONTROL, TAU, ENERGY, TASK, SITES
from ..input_parameters_definitions import InputParametersDefinition as InputParameters


[docs] def input_parameters(): return InputParameters( "dos", [ CONTROL("DOS"), TAU, ENERGY(emax=(1.0, "value of the highest energy", None), defaults={"GRID": 3, "NE": 300, "ImE": 0.01}), TASK("DOS"), SITES, ], executable="kkrgen", mpi=True, info="DOS - The density of states computation", )
""" DOS - density of states input parameters definition"""