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""" Optical conductivity of disordered graphene lattice | |
Lattice : Monolayer graphene; | |
Disorder : Disorder class Gaussian at different sublattices; | |
Configuration : size of the system 512x512, without domain decomposition (nx=ny=1), periodic boundary conditions, | |
double precision, manual scaling; | |
Calculation : dos; | |
Modification : magnetic field is off; | |
""" | |
import kite | |
from pybinding.repository import graphene | |
# load a monolayer graphene lattice | |
lattice = graphene.monolayer() | |
# add Disorder | |
disorder = kite.Disorder(lattice) | |
disorder.add_disorder('B', 'Gaussian', 0.0, 0.6) | |
disorder.add_disorder('A', 'Gaussian', 0.0, 0.6) | |
# 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 = 512 | |
# 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=False, precision=1) | |
# require the calculation of DOS and conductivity_optical | |
calculation = kite.Calculation(configuration) | |
calculation.dos(num_points=4000, num_moments=512, num_random=10, num_disorder=1) | |
calculation.conductivity_optical(num_points=1000, num_disorder=1, num_random=10, num_moments=512, direction='xx') | |
# configure the *.h5 file | |
kite.config_system(lattice, configuration, calculation, filename='opt_gaussian.h5', disorder=disorder) |
Author
quantum-kite
commented
Jun 10, 2018
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