Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properties based on BTE (THERMACOND), and the thermal equilibrium state using SCP theory (SCOP8)
☆19Mar 4, 2026Updated last month
Alternatives and similar repositories for Anharmonic-lattice-dynamics
Users that are interested in Anharmonic-lattice-dynamics are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Post-processing of electron-phonon coupling calculations from Abinit☆16Jan 6, 2021Updated 5 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Jul 18, 2020Updated 5 years ago
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Aug 19, 2022Updated 3 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 4 months ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A software to calculate thermal conductivity quickly and accurately☆38Feb 20, 2020Updated 6 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆35Jan 6, 2026Updated 3 months ago
- Interfacial heat conductance☆13Sep 7, 2024Updated last year
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Feb 8, 2020Updated 6 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆29Oct 15, 2025Updated 6 months ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆58Mar 23, 2026Updated 3 weeks ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆52Dec 24, 2024Updated last year
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- Interfacial Phonon code☆28Jul 31, 2022Updated 3 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆28Sep 14, 2020Updated 5 years ago
- Multipurpose ab initio MD program.☆12Apr 1, 2026Updated 2 weeks ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Phonon Boltzmann Transport Equation☆50May 15, 2025Updated 11 months ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- ☆28Dec 16, 2024Updated last year
- Anharmonic Lattice Dynamics☆181Apr 9, 2026Updated last week
- Tools for Phono(3)py power users.☆36Oct 23, 2023Updated 2 years ago
- Generate isosurface from density data☆14Mar 7, 2026Updated last month
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆75Mar 30, 2026Updated 2 weeks ago
- The Temperature Dependent Effective Potentials (TDEP) code☆106Mar 31, 2026Updated 2 weeks ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Jun 23, 2020Updated 5 years ago
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Calculation framework☆13Jan 20, 2026Updated 2 months ago
- A module for ASE for elastic constants calculation.☆47Jan 5, 2026Updated 3 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆34Nov 10, 2024Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆48May 6, 2024Updated last year
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- Materials Interface: methods in computational materials science☆26Mar 28, 2017Updated 9 years ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago