Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT
☆39Jul 29, 2024Updated 2 years ago
Alternatives and similar repositories for inelastica
Users that are interested in inelastica are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆228Updated this week
- Tutorials for the sisl-TBtrans-TranSiesta suite☆48Updated this week
- Interfacial heat conductance☆14Sep 7, 2024Updated 2 years ago
- Tools for Phono(3)py power users.☆38Oct 23, 2023Updated 3 years ago
- Non-equilibrium green's function method☆20Nov 26, 2015Updated 10 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- [DEPRECATED] A NEGF Python package for quantum transport simulations. We have moved! Please go to: https://github.com/deepmodeling/dpnegf☆14Jul 12, 2026Updated 3 months ago
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Apr 7, 2020Updated 6 years ago
- Python tools for mean-field Hubbard models☆27Mar 23, 2026Updated 7 months ago
- Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative …☆12Feb 27, 2021Updated 5 years ago
- band unfolding using quantum espresso☆13Jul 7, 2023Updated 3 years ago
- ☆26Jul 16, 2026Updated 3 months ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆29May 13, 2026Updated 5 months ago
- Interfacial Phonon code☆30Jul 31, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Apr 7, 2023Updated 3 years ago
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆30Sep 14, 2020Updated 6 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆35Aug 19, 2022Updated 4 years ago
- LaTeX lab reports for AEC(Experiment) for DII students in NJU☆12Mar 15, 2019Updated 7 years ago
- Crsytal simulation tools☆11Oct 20, 2026Updated last week
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆31Jan 21, 2021Updated 5 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆28Dec 17, 2025Updated 10 months ago
- Massively parallel vibrational mode calculator.☆23Aug 14, 2024Updated 2 years ago
- BerkeleyGW examples☆20Feb 23, 2024Updated 2 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 7 years ago
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆17Feb 11, 2021Updated 5 years ago
- A streamlit web application for running PyFock interactively on the web or your own PC.☆15Sep 15, 2026Updated last month
- Post-processing of electron-phonon coupling calculations from Abinit☆16Jan 6, 2021Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 5 years ago
- dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning m…☆16Dec 18, 2025Updated 10 months ago
- 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.
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆30Feb 8, 2020Updated 6 years ago
- Monte Carlo simulator of phonon and heat transport in nanostructures☆27Oct 6, 2026Updated 3 weeks ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Oct 1, 2020Updated 6 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆20Oct 24, 2026Updated last week
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆39May 19, 2026Updated 5 months ago
- PLATO: Phonon LAttice TOols a place for all lattice dynamics and thermal transport related tools.☆16Oct 4, 2023Updated 3 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Sep 13, 2020Updated 6 years ago