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KITE - Quantum Transport Sotware quantum-kite

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View gist:9d1e36b056e46c50624357795ee778c9
Get the script and the folder for setting up the system in the repository
View twisted_bilayer.py
""" Twisted bilayer graphene, loading a predefined lattice
Lattice : Twisted bilayer graphene;
Disorder : None;
Configuration : size of the system flexible, with domain decomposition, periodic boundary conditions,
double precision, automatic scaling;
Calculation : dos;
Modification : magnetic field is off;
"""
View optical_graphene_gauss.py
""" 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;
"""
View haldane.py
""" 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;
"""
View phosphorene_yy.py
""" 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;
"""
View phosphorene_xx.py
""" 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;
"""
View graphene_lattice.py
"""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
View run_example.sh
#!/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
View structural_disorder.py
""" 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;
"""