A Python library for electronic structure pre/post-processing

• UpdatedMar 20, 2025
• Python

Python library to compute different properties of tight binding models

• UpdatedAug 31, 2021
• Python

• UpdatedJun 30, 2024
• Python

A Jupyter widget to plot bandstructure and density of states.

• UpdatedSep 12, 2024
• Jupyter Notebook

Fermi surface viewer providing multiple representation schemes

• UpdatedJun 26, 2024
• C++

Python Processing Tool for Vasp Ipnut/Output

• UpdatedJul 6, 2023
• Jupyter Notebook

Matlab tools to visualize and process the output of a VASP calculation.

• UpdatedFeb 11, 2022
• MATLAB

CNTT, also spelled C-entity, is an acronym for Carbon Nano Tube Tool. It's a tool for computing, displaying and manipulating properties of carbon nanotubes.

• UpdatedJan 9, 2024
• Python

Calculation of properties of metals, Silicon and Graphenes, using density function theory in Quantum Espresso

• UpdatedNov 10, 2023
• PostScript

BAnd Unfolding Machinery for VASP (VASP-BAUM)

• UpdatedJan 16, 2023
• Fortran

Bandstructure calculations using the empirical pseudopotential method.

• UpdatedMar 29, 2016
• Fortran

Post processing PowerShell Module for Vasp output.

• UpdatedApr 26, 2022
• PowerShell

Command line program for band structure plotting from XML files generated by the Exciting code

• UpdatedApr 14, 2023
• Jupyter Notebook

This project provides a Python-based automated workflow for calculating the band structure and projected density of states (PDOS) of materials using Quantum ESPRESSO and ASE. Simply provide a CIF file, and the workflow will handle everything from structure optimization to post-processing and visualization.

• UpdatedJan 20, 2025
• Python

band structure calculation of 2D square lattice with four orbitals.

• UpdatedJan 22, 2021
• Python

Quantum methods of solid state physics program showing band structure od 2-dimentional carbon crystal - graphene. It's calculated using method of tight binding (TB).

• UpdatedMar 25, 2020
• Jupyter Notebook

Guía de instalación y ejemplos de uso de Quantum Espresso. Felipe Cervantes Sodi. Septiembre 2018- agosto 2019

• UpdatedJan 27, 2021
• Jupyter Notebook

Small tool to plot dos, bandstructure and dos+bandstructure with python's matplotlib, using the files generated by vaspkit

• UpdatedMar 10, 2024
• Python

VASP_tool is a Python library for analyzing and visualizing VASP output via vaspkit, supporting band structures and DOS plotting with customizable, publication-quality plots.

• UpdatedDec 21, 2024
• Python