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""" Graphene DOS | |
Lattice : Graphene lattice; | |
Disorder : None; | |
Configuration : size of the system 512x512, without domain decomposition (nx=ny=1), periodic boundary conditions, | |
double precision, automatic scaling; | |
Calculation : DOS; | |
Modification : magnetic field is off; | |
""" | |
import numpy as np |
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import matplotlib.pyplot as plt | |
import h5py | |
import matplotlib as mpl | |
import numpy as np | |
#************************************ | |
#keep these definitions for kite website | |
import seaborn as sns | |
mpl.rcParams['figure.dpi'] = 100 | |
mpl.rcParams['savefig.dpi'] = 100 | |
sns.set_style("white") |
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""" 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; | |
""" |
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""" Bond disorder | |
Lattice : Honeycomb 1[nm] interatomic distance and t=1[eV] hopping; | |
Disorder : StructuralDisorder class bond and vacancy disorder; | |
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; | |
""" |
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#!/bin/bash | |
file_out=example1 # define name of a python script that exports the *.h5 file file | |
file_in=example1 # define name of an input *.h5 exported from when running previous script file | |
python ${file_out}.py # make a model | |
./KITEx ${file_in}.h5 # run Quantum Kite | |
./tools/KITE-tools ${file_in}.h5 # run PostProccesingCode | |
python plot_dos.py # display the data |
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"""Basic lattice specification for monolayer graphene with nearest neighbor""" | |
import matplotlib.pyplot as plt | |
import pybinding as pb | |
import math | |
a = 0.24595 # [nm] unit cell length | |
a_cc = 0.142 # [nm] carbon-carbon distance |
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THIS IS OUR LOGO |
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""" Phosphorene conductivity 'xx' | |
Lattice : Bilayer phosphorene; | |
Disorder : None; | |
Configuration : size of the system 512x512, without domain decomposition (nx=ny=1), periodic boundary conditions, | |
double precision, automatic scaling; | |
Calculation : singleshot_conductivity_dc; | |
Modification : magnetic field is off; | |
""" |
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""" Phosphorene conductivity 'yy' | |
Lattice : Bilayer phosphorene; | |
Disorder : None; | |
Configuration : size of the system 512x512, without domain decomposition (nx=ny=1), periodic boundary conditions, | |
double precision, automatic scaling; | |
Calculation : singleshot_conductivity_dc; | |
Modification : magnetic field is off; | |
""" |
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""" DOS and DC conductivity of the Haldane model | |
Lattice : Honeycomb lattice; | |
Disorder : Disorder class Uniform at different sublattices; | |
Configuration : size of the system 256x256, with domain decomposition (nx=ny=12), periodic boundary conditions, | |
double precision, automatic scaling; | |
Calculation : DOS and conductivity_dc; | |
Modification : magnetic field is off; | |
""" |
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