([1, +1], 'A', 'A', t_nn),
([1, +1], 'B', 'B', t_nn),
([1, -2], 'A', 'A', t_nn),
([1, -2], 'B', 'B', t_nn),
)
lat.min_neighbors = 2
return lat
lattice = graphene(nearest_neighbors=3)
lx = int(sys.argv[1])
ly = int(sys.argv[2])
domain_decompose_1 = int(sys.argv[3])
domain_decompose_2 = int(sys.argv[4])
num_moments = int(sys.argv[5])
emin, emax = -3.01 * np.abs(t) - 6 * t_nn, 3.01 * np.abs(t) + 6 * t_nn
configuration = kite.Configuration(divisions=[domain_decompose_1, domain_decompose_2], length=[lx, ly],
boundaries=[True, True], is_complex=False, precision=1, spectrum_range=[emin, emax])
calculation = kite.Calculation(configuration)
calculation.dos(num_points=1000, num_moments=num_moments, num_random=1, num_disorder=1)
name = 'dos_gr_nnn.h5'
kite.config_system(lattice, configuration, calculation, filename=name)
# Add sublattices
lat.add_sublattices(
# name, position, and onsite potential
('A', [0, 0], onsite[0])
)
# Add hoppings
lat.add_hoppings(
([1, 0], 'A', 'A', - 1),
([0, 1], 'A', 'A', - 1)
)
return lat
# load a square lattice
lattice = square_lattice([0])
# number of decomposition parts in each direction of matrix. This divides the lattice into various sections,
# each of which is calculated in parallel
nx = ny = 2
# number of unit cells in each direction.
lx = 256
ly = 256
configuration = kite.Configuration(divisions=[nx, ny], length=[lx, ly], boundaries=[True, True],
is_complex=False, precision=1, spectrum_range=[-4.1,4.1])
calculation_ldos = kite.Calculation(configuration)
calculation_ldos.ldos(energy=np.linspace(-1, 1, 100), num_moments=32, num_disorder=1, position=[4,3], sublattice='A')
kite.config_system(lattice, configuration, calculation_ldos, filename='config.h5')
e_max = +9.3
num_a1 = 640
num_a2 = 512
num_moments = 12000
# make config object which caries info about
# - the number of decomposition parts [nx, ny],
# - lengths of structure [lx, ly]
# - boundary conditions, setting True as periodic boundary conditions, and False elsewise,
# - info if the exported hopping and onsite data should be complex,
# - info of the precision of the exported hopping and onsite data, 0 - float, 1 - double, and 2 - long double.
configuration = kite.Configuration(divisions=[nx, ny],
length=[num_a1, num_a2],
boundaries=[True, True],
is_complex=False,
precision=0,
spectrum_range=[e_min, e_max])
calculation = kite.Calculation(configuration)
calculation.dos(num_points=5000,
num_moments=num_moments,
num_random=1,
num_disorder=1)
# export the lattice from the lattice object, config and calculation object and the name of the file
# the disorder is optional. If there is disorder in the lattice for now it should be given separately
kite.config_system(complete_lattice,
configuration,
calculation,
filename='dos_' + name[:-4] +
disorder.add_disorder('B', 'Uniform', +0.0, 0.4)
# number of decomposition parts in each direction of matrix.
# This divides the lattice into various sections, each of which is calculated in parallel
nx = ny = 1
# number of unit cells in each direction.
lx = ly = 256
# make config object which caries info about
# - the number of decomposition parts [nx, ny],
# - lengths of structure [lx, ly]
# - boundary conditions, setting True as periodic boundary conditions, and False elsewise,
# - info if the exported hopping and onsite data should be complex,
# - info of the precision of the exported hopping and onsite data, 0 - float, 1 - double, and 2 - long double.
# - scaling, if None it's automatic, if present select spectrum_bound=[e_min, e_max]
configuration = kite.Configuration(divisions=[nx, ny],
length=[lx, ly],
boundaries=[True, True],
is_complex=True,
precision=0)
calculation = kite.Calculation(configuration)
# require the calculation of DOS and conductivity_dc
calculation.dos(num_points=1000,
num_moments=512,
num_random=10,
num_disorder=1)
calculation.conductivity_dc(num_points=1000,
num_moments=256,
num_random=50,
num_disorder=1,
direction='xy',
temperature=100)
# configure the *.h5 file
spinors.append(v)
k_vector_rel = np.array(ks)
spinor = np.array(spinors)
print('size ', k_vector_rel, spinor)
emin, emax = -3.03 * np.abs(t), 3.03 * np.abs(t)
if use_disorder:
emin -= 1.1 * np.abs(disorder_strength) / 2
emax += 1.1 * np.abs(disorder_strength) / 2
scale_a = (emax - emin) / 2
configuration = kite.Configuration(divisions=[nx, ny],
length=[lx, ly],
boundaries=[True, True],
is_complex=True,
precision=1,
spectrum_range=[emin, emax])
# estimate the num moments
num_moments = int(1.5 * 2.0 * scale_a * deltaT / hbar)
calculation = kite.Calculation(configuration)
calculation.gaussian_wave_packet(num_points=num_points,
num_moments=num_moments,
num_disorder=4,
k_vector=k_vector_rel,
spinor=spinor,
width=sigma,
timestep=scale_a * deltaT / hbar,
mean_value=[int(lx / 2),
return lat
lattice = graphene_initial()
disorder = kite.Disorder(lattice)
disorder.add_disorder('B', 'Uniform', 0.0, W * 0.5 / np.sqrt(3))
disorder.add_disorder('A', 'Uniform', 0.0, W * 0.5 / np.sqrt(3))
nx = ny = 2
configuration = kite.Configuration(
divisions=[nx, ny],
length=[L, L],
boundaries=[True, True],
is_complex=False,
precision=0,
spectrum_range=[-energy_scale, energy_scale])
calculation = kite.Calculation(configuration)
calculation.singleshot_conductivity_dc(energy=[(n / 100.0 - 0.5) * 2
for n in range(11)],
num_moments=64,
num_random=1,
num_disorder=1,
direction='xx',
eta=0.02)
kite.config_system(lattice,
configuration,
calculation,
# make a graphene lattice
lattice = graphene()
disorder = kite.Disorder(lattice)
#disorder.add_disorder('A', 'Uniform', +0.0, 0.5)
#disorder_struc = kite.StructuralDisorder(lattice, position=[1, 1])
#disorder_struc.add_vacancy('A')
# number of decomposition parts in each direction of matrix.
# This divides the lattice into various sections, each of which is calculated in parallel
nx = 1
ny = 1
nz = 2
# number of unit cells in each direction.
lx = ly = lz = 128
# make config object which caries info about
# - the number of decomposition parts [nx, ny],
# - lengths of structure [lx, ly]
# - boundary conditions, setting True as periodic boundary conditions, and False elsewise,
# - info if the exported hopping and onsite data should be complex,
# - info of the precision of the exported hopping and onsite data, 0 - float, 1 - double, and 2 - long double.
# - scaling, if None it's automatic, if present select spectrum_bound=[e_min, e_max]
configuration = kite.Configuration(divisions=[nx, ny, nz], length=[lx, ly, lz], boundaries=[True, True, True],
is_complex=False, precision=1)
# require the calculation of DOS
calculation = kite.Calculation(configuration)
calculation.dos(num_points=1000, num_moments=128, num_random=1, num_disorder=1)
# configure the *.h5 file
kite.config_system(lattice, configuration, calculation, filename='example_initial.h5')
struc_disorder_one = kite.StructuralDisorder(lat, position=[[32, 32]])
struc_disorder_one.add_structural_disorder(
(*node0, *node1, timp), (*node0, *node2, timp), (*node0, *node3, timp),
(*node0, limp))
return lat, [struc_disorder_one]
lattice, disorded_structural = graphene_initial()
nx = ny = 1
lx = 128
ly = 128
configuration = kite.Configuration(divisions=[nx, ny],
length=[lx, ly],
boundaries=[True, True],
is_complex=True,
precision=1,
spectrum_range=[-EnergyScale, EnergyScale])
pos_matrix = []
sub_matrix = []
d1 = 32
d2 = 32
N = 64
for i in range(-5, 5):
for j in range(-5, 5):
pos_matrix.append([d1 + i, d2 + j])
pos_matrix.append([d1 + i, d2 + j])
sub_matrix.append('A')
sub_matrix.append('B')
return lat
lattice = graphene_initial()
divX = 1
divY = 1
sizeX = 256
sizeY = 256
NumMoments = 512
energy_scale = 3.1
configuration = kite.Configuration(
divisions=[divX, divY],
length=[sizeX, sizeY],
boundaries=[True, True],
is_complex=False,
precision=0,
spectrum_range=[-energy_scale, energy_scale])
calculation = kite.Calculation(configuration)
calculation.conductivity_optical(num_points=256,
num_moments=NumMoments,
num_random=1,
num_disorder=1,
direction="xx",
temperature=0.01)
kite.config_system(lattice,
configuration,
