A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
☆50May 6, 2024Updated 2 years ago
Alternatives and similar repositories for ModeMap
Users that are interested in ModeMap are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tools for Phono(3)py power users.☆37Oct 23, 2023Updated 2 years ago
- ☆13Apr 12, 2023Updated 3 years ago
- Quick tools for materials chemistry☆19May 29, 2024Updated last year
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Jan 15, 2020Updated 6 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆33Jan 12, 2026Updated 4 months 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.
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated 3 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆30Aug 6, 2021Updated 4 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 3 years ago
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- Dealing with slabs for first principles calculations of surfaces☆68Sep 17, 2023Updated 2 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆187May 7, 2026Updated 2 weeks ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆10Sep 26, 2025Updated 7 months ago
- TDEP Tutorials☆37Jun 1, 2025Updated 11 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆193May 13, 2026Updated last week
- The Temperature Dependent Effective Potentials (TDEP) code☆115Mar 31, 2026Updated last month
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Oct 6, 2019Updated 6 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆46Feb 24, 2025Updated last year
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆140Apr 14, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆41Sep 13, 2020Updated 5 years ago
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 6 years ago
- Heavyweight plotting tools for ab initio calculations☆251Apr 9, 2026Updated last month
- Geometric analysis of crystal structures☆16Jun 16, 2022Updated 3 years ago
- ☆13Nov 16, 2022Updated 3 years ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 5 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆85May 11, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- Python package to analyse the structural dynamics of perovskites☆54Jan 14, 2026Updated 4 months ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Defect structure-searching employing chemically-guided bond distortions☆121May 11, 2026Updated last week
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- Generate symmetrized force constants☆27May 1, 2026Updated 2 weeks ago
- Analysis of quantum chemical interactions in molecules and solids.☆118Apr 19, 2026Updated last month