atztogo / phonondbLinks
URL links to phonondb data
☆32Updated last year
Alternatives and similar repositories for phonondb
Users that are interested in phonondb are comparing it to the libraries listed below
Sorting:
- ☆67Updated 2 years ago
- ☆46Updated 9 months ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 5 months ago
- Visualize vibrational modes from VASP calculations☆42Updated 6 months ago
- Band structure unfolding made easy!☆53Updated 3 weeks ago
- ☆42Updated 7 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 2 months ago
- Phonons from ML force fields☆22Updated 3 weeks ago
- ☆57Updated 3 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Tools for Phono(3)py power users.☆34Updated last year
- Defect analysis modules for pymatgen☆52Updated last week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆44Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- Defect structure-searching employing chemically-guided bond distortions☆98Updated 3 weeks ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆62Updated 2 months ago
- Python package to analyse the structural dynamics of perovskites☆44Updated 7 months ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆23Updated 2 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- A python library for calculating materials properties from the PES☆98Updated this week
- Export Eigenvectors from Phonopy format to VESTA☆45Updated 7 months ago
- A Python 3 script to visualise atomic displacement using the Vesta file format☆17Updated 5 years ago
- ASE interface for fully constant potential with VASP☆35Updated 9 months ago
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆14Updated last year
- A code for generating irreducible site-occupancy configurations☆49Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 4 months ago
- Site-Occupation Disorder☆42Updated 3 months ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago