Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
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Updated
Sep 21, 2024 - Python
Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
Post-processing toolkit for electronic structure calculations
Band Structure and Density of States computation of the Brillouin Zone.
A Jupyter widget to plot bandstructure and density of states.
Depth-resolved density of states plot for VASP
This code can be used to integrate the Density of states (DOS) by simply using Simpson's rule for integration
Matlab tools to visualize and process the output of a VASP calculation.
Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!
Matplotlib wrapper for WIEN2k post-processing
Numerical methods for tight-binding models --CPA, KPM, Chebyshev expansion
A simple script to draw band structure and DOS diagram
Demonstration of a simple data visualization dashboard for electronic structure data in a Jupyter notebook.
Tight Binding calculation of the Density of States of disordered materials
A collection of all my personal Quantum Espresso projects
Tool to help you analyze and visualize the results from Quantum Espresso (Band structure BS, DOS, pDOS)
Part of my work realized during the years as a PhD student. I was in the team MEMO of the CIRIMAT lab in Toulouse. I study via a multi-scale approach the influence influence of H, C, N impurities and point defects on the solubility and diffusion of the oxygen in the nickel (fcc phase). My works was under the supervision of Damien Connétable and …
Decimation of the Green function in graphene nanoribbons
Calculations of 2DEG accumulation STO ionic liquid gate electric double layer transistors from Masters thesis
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