kumagai-group / oxygen_vacancies_db
☆12Updated 2 years ago
Alternatives and similar repositories for oxygen_vacancies_db:
Users that are interested in oxygen_vacancies_db are comparing it to the libraries listed below
- VASP Integrated Supporting Environment☆23Updated last month
- 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 year
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 3 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Script to generate distorted perovskite structures☆11Updated last year
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆21Updated last year
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆20Updated 2 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆19Updated 6 months ago
- Calculate 3rd order elastic constant.☆13Updated last month
- ☆13Updated last month
- Quick tools for materials chemistry☆17Updated 10 months ago
- Automation of VASP DFT workflows with ASE - application scripts☆12Updated last year
- Tools for Phono(3)py power users.☆33Updated last year
- Vizualisation of Atomic Contributions to Phonon Modes☆10Updated 5 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago
- ☆11Updated 2 years 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
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 4 years ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- A Python package for enhancing VASP AIMD simulations and analysis☆12Updated 2 weeks ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 2 weeks ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆12Updated 3 years ago
- ☆20Updated last year
- Restructure single parabolic band(SPB) model used for thermoelectricity☆8Updated 3 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated 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
- ☆25Updated 3 months ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆11Updated 3 months ago
- ☆19Updated 4 months ago