hitliaomq / ELASTIC3rdLinks
Calculate 3rd order elastic constant.
☆13Updated 3 months ago
Alternatives and similar repositories for ELASTIC3rd
Users that are interested in ELASTIC3rd are comparing it to the libraries listed below
Sorting:
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 2 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- extract third order force constants from TDEP output☆9Updated 5 years ago
- Script to generate distorted perovskite structures☆12Updated 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
- 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
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 7 months ago
- Interfacial Phonon code☆27Updated 2 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 5 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- TDEP Tutorials☆30Updated 3 weeks ago
- ☆26Updated 5 months ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆13Updated 3 years ago
- ☆11Updated 5 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated last month
- GPUMD and LAMMPS helper functions for thermal computations☆10Updated 3 years ago
- ☆19Updated 6 months ago
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 9 months ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆21Updated 2 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- ☆20Updated last year
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 2 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆24Updated 4 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated 8 months ago