atztogo / phonondbLinks
URL links to phonondb data
☆29Updated 10 months ago
Alternatives and similar repositories for phonondb
Users that are interested in phonondb are comparing it to the libraries listed below
Sorting:
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆36Updated 3 months ago
- Band structure unfolding made easy!☆53Updated this week
- ☆43Updated 8 months ago
- ☆11Updated 2 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆21Updated 2 years ago
- ☆41Updated 6 years ago
- Phonons from ML force fields☆20Updated 2 months ago
- quick analysis of vasp calculation☆35Updated last year
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year
- Visualize vibrational modes from VASP calculations☆41Updated 4 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 6 months ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- A command line tool written in Python/C++ for finding optimized SQS structures☆47Updated this week
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 2 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated last week
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 2 months ago
- ASE interface for fully constant potential with VASP☆34Updated 7 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- ☆36Updated 5 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆42Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Updated 4 years ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- ☆68Updated 2 years ago
- ☆49Updated last month
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆59Updated last week
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last month