example of adding on-site disorder

on_site_disorder.py

""" Onsite disorder

    Lattice : Monolayer graphene;
    Disorder : Disorder class Deterministic and Uniform 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 graphene lattice and structural_disorder
lattice = graphene.monolayer()
# add Disorder
disorder = kite.Disorder(lattice)
disorder.add_disorder('B', 'Deterministic', -1.0)
disorder.add_disorder('A', 'Uniform', +1.5, 1.0)
# 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 = 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
calculation = kite.Calculation(configuration)
calculation.dos(num_points=5000, num_moments=512, num_random=1, num_disorder=1)
# configure the *.h5 file
kite.config_system(lattice, configuration, calculation, modification, 'on_site_disorder.h5', disorder=disorder)