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"""