FedeDat / VASP-tutorialLinks
Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research of Catalonia (ICIQ) during September 2021.
☆27Updated 2 years ago
Alternatives and similar repositories for VASP-tutorial
Users that are interested in VASP-tutorial are comparing it to the libraries listed below
Sorting:
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Updated 2 years ago
- ☆69Updated 2 years ago
- ☆18Updated 4 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 7 months ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Updated 3 months ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- LAMMPS plugin for AiiDA☆25Updated last week
- ☆27Updated 9 months ago
- ☆22Updated 2 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 3 weeks ago
- Gaussian and Lorentzian smearing of simulated spectra☆42Updated 11 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Tools for Phono(3)py power users.☆34Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Band structure unfolding made easy!☆56Updated last month
- Practical guide on how to use VASP☆23Updated 5 years ago
- Site-Occupation Disorder☆44Updated 5 months ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated last month
- A for finding optimized SQS structures tool written in C++☆50Updated this week
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆21Updated 5 months ago
- A Python suite for manipulating VASP input and output☆48Updated 2 months ago
- ☆36Updated 5 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 6 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated 3 months ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 7 years ago
- Quick tools for materials chemistry☆18Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- ☆52Updated 11 months ago