hello-arun / tutorialsLinks
Tutorials of codes such as VASP, Quantum Espresso and Lammps
☆13Updated 2 months ago
Alternatives and similar repositories for tutorials
Users that are interested in tutorials are comparing it to the libraries listed below
Sorting:
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆13Updated last year
- 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
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Calculate 3rd order elastic constant.☆13Updated 3 months ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 7 months 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
- Tools for Phono(3)py power users.☆33Updated last year
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- Molecular dynamics package designed for the SIESTA DFT code.☆15Updated 2 weeks 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
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆18Updated last week
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- 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
- Interfacial Phonon code☆27Updated 2 years ago
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 9 months ago
- 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 crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated 8 months ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Updated 4 years ago
- ☆26Updated 5 months ago
- 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
- Quick tools for materials chemistry☆17Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- ☆19Updated 6 months ago
- TDEP Tutorials☆30Updated 3 weeks ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- Python program for analyzing the output files of phonopy.☆13Updated 3 years 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
- ☆20Updated last year