Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files
☆21May 17, 2024Updated last year
Alternatives and similar repositories for QEbandplot
Users that are interested in QEbandplot are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Projected Electronic Bands in Quantum Espresso☆15Oct 21, 2025Updated 6 months ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Scripts to calculate elastic properties from a set of strained structures☆20Jul 3, 2024Updated last year
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆62Apr 20, 2026Updated 2 weeks ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 5 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆45Aug 23, 2023Updated 2 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆92Jan 21, 2020Updated 6 years ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆180Apr 18, 2026Updated 2 weeks ago
- Band structure of bulk 2H-phase MoS2☆32Feb 15, 2022Updated 4 years ago
- CASTEPconv, a tool to automate convergence calculations with CASTEP☆14Aug 9, 2021Updated 4 years ago
- ☆25Jan 22, 2026Updated 3 months ago
- Creating elastic structures using LAMMPS☆12Jan 30, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Curatable database for experimental and theoretical data on solid materials.☆13Sep 21, 2025Updated 7 months ago
- An introduction to DFT.☆14May 17, 2024Updated last year
- scripts related to qe☆28Jan 14, 2022Updated 4 years ago
- Tutorials for Quantum Espresso☆29Aug 18, 2022Updated 3 years ago
- Abinit tutorials based on AbiPy☆18Mar 30, 2022Updated 4 years ago
- Docs and examples for Quantum-Espresso☆17May 25, 2017Updated 8 years ago
- A collection of examples for running different types of VASP calculations.☆34Oct 30, 2016Updated 9 years ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated 10 months ago
- Crsytal simulation tools☆10Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- BURAI, a GUI system of Quantum ESPRESSO☆73May 7, 2021Updated 4 years ago
- The PyTorch implementation of ML framework for predicting band structure, taking an example of graphene nanoribbon systems.☆12Oct 6, 2022Updated 3 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Calculating electron-phonon couplings with DFTB.☆10Updated this week
- Quantum Visualization Interacting Toolkit for Ab-initio Simulations☆76Apr 23, 2026Updated last week
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated last year
- A Julia package for fitting the equation of state of solids, and more☆16Updated this week
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Jul 25, 2025Updated 9 months ago
- A Python library to calculate elastic properties of materials.☆60Jul 23, 2025Updated 9 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Electron-phonon averaged approximation☆11Jun 30, 2025Updated 10 months ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories☆14Mar 4, 2021Updated 5 years ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Nov 19, 2023Updated 2 years ago
- Generic C++ code for replica exchange determinantal quantum Monte Carlo (DQMC) simulations of strongly correlated itinerant electron syst…☆21Jun 10, 2017Updated 8 years ago
- ☆240Jul 31, 2020Updated 5 years ago