hitliaomq / ELASTIC3rd
Calculate 3rd order elastic constant.
☆13Updated 3 years ago
Related projects ⓘ
Alternatives and complementary repositories for ELASTIC3rd
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆15Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆12Updated 3 weeks ago
- Builds 2D heterostructures via coincidence lattice theory.☆12Updated last year
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆14Updated 4 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆20Updated last week
- some toolkits for VASP☆27Updated 3 years ago
- Interfacial Phonon code☆25Updated 2 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 2 years ago
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 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…☆18Updated last year
- Tools for Phono(3)py power users.☆30Updated last year
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- TDEP Tutorials☆20Updated last year
- Automation of VASP DFT workflows with ASE - application scripts☆12Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆26Updated 3 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated 11 months ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆15Updated 9 months ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆11Updated last year
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 8 months ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated last year
- Ferroelectric/Ferroelastic domain wall builder☆16Updated last month
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆10Updated 2 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆22Updated last month
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆12Updated 3 years ago
- ☆21Updated 2 years ago
- ☆14Updated 2 weeks ago
- A code to compute the radial distribution function☆19Updated 5 years ago
- ☆11Updated 4 years ago