atztogo / phonondb
URL links to phonondb data
☆28Updated 8 months ago
Alternatives and similar repositories for phonondb:
Users that are interested in phonondb are comparing it to the libraries listed below
- Band structure unfolding made easy!☆49Updated 2 weeks ago
- ☆36Updated 5 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated last month
- Visualize vibrational modes from VASP calculations☆39Updated 2 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated 11 months ago
- a workflow to do constant potential thermodynamic integration in VASP☆10Updated 3 months ago
- Tools for Phono(3)py power users.☆33Updated last year
- Dealing with slabs for first principles calculations of surfaces☆62Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆56Updated last month
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆21Updated last year
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆28Updated 4 months ago
- ☆66Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆38Updated 5 months ago
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- TB3Py: Two- and three-body tight-binding calculations for materials☆16Updated 6 months ago
- quick analysis of vasp calculation☆35Updated 9 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆24Updated 11 months ago
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated this week
- Defect analysis modules for pymatgen☆47Updated last week
- ☆36Updated 5 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆23Updated 2 weeks ago
- ☆18Updated 3 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆28Updated last year
- Occupation matrix control modification VASP☆45Updated 5 years ago
- Phonons from ML force fields☆17Updated 2 months ago
- TDEP Tutorials☆26Updated 3 months ago
- ☆47Updated last year