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@quantum-kite
quantum-kite / plot_dos.py
Created June 5, 2018 01:17
script for DOS plotting
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")
@quantum-kite
quantum-kite / KITE LOGO
Created June 7, 2018 10:36
@quantum-kite
quantum-kite / run_example.sh
Last active June 9, 2018 10:29
#!/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
@quantum-kite
quantum-kite / on_site_disorder.py
Last active June 10, 2018 15:06
example of adding on-site disorder
""" 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;
"""
@quantum-kite
quantum-kite / graphene_lattice.py
Last active June 10, 2018 16:28
Graphene Lattice
"""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
@quantum-kite
quantum-kite / phosphorene_xx.py
Last active June 10, 2018 16:29
""" 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;
"""
@quantum-kite
quantum-kite / phosphorene_yy.py
Last active June 10, 2018 16:29
""" 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;
"""
@quantum-kite
quantum-kite / structural_disorder.py
Last active June 10, 2018 16:29
""" 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;
"""
@quantum-kite
quantum-kite / haldane.py
Last active June 10, 2018 18:06
""" 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;
"""
@quantum-kite
quantum-kite / optical_graphene_gauss.py
Last active June 10, 2018 21:04
""" 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;
"""