""" DOS task input parameters definition"""
from ...common.grammar_types import SetOf
from .sections import TASK, CONTROL, TAU, ENERGY, SITES, STRCONST, MODE
from ..input_parameters_definitions import \
InputParametersDefinition as InputParameters, \
InputValueDefinition as V
input_parameters = lambda: InputParameters(
'bsfkk', [
CONTROL('BSF'),
TAU,
TASK('BSF', add=[
V('NK', 300, info="total number of k-points"),
V('NK1', int, info="number of k-points along k1", is_optional=True),
V('NK2', int, info="number of k-points along k2", is_optional=True),
V('K1', SetOf(float, length=3), is_optional=True, info="first k-vector to span a two-dimensional region in k-space."),
V('K2', SetOf(float, length=3), is_optional=True, info="second k-vector to span a two-dimensional region in k-space"),
]),
ENERGY(
emin = (0.7, 'the energy to compute the BSF', None),
emax = 'emin',
defaults={
'ImE' : 0.001,
'GRID': 3,
'NE' : 1
}),
CONTROL('BLOCHSF'),
TAU,
MODE,
STRCONST,
SITES
],
executable='kkrgen',
mpi=True,
info="BSFKK - Bloch spectral functions in the K-K plane"
)
""" JXC -JXC task input parameters definition"""
# TODO - AKI scripts to generate KA/KE