Linqiaosong / Fermi-Softness-for-VASPLinks
A script for calculating Fermi-Softness.
☆13Updated 3 years ago
Alternatives and similar repositories for Fermi-Softness-for-VASP
Users that are interested in Fermi-Softness-for-VASP are comparing it to the libraries listed below
Sorting:
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 2 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- 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
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated 9 months ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 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
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 3 months ago
- ☆11Updated 5 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- Automation of VASP DFT workflows with ASE - application scripts☆12Updated 2 years ago
- Calculate 3rd order elastic constant.☆13Updated 3 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 4 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Updated last year
- cif2cell compatible with Python 3+☆12Updated 2 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆15Updated last year
- ☆24Updated 2 weeks ago
- Electro-Chemical Optimizer☆12Updated 3 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 2 months ago
- Quick tools for materials chemistry☆17Updated last year
- ☆26Updated 6 months ago
- ☆19Updated 6 months ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆12Updated 6 years ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆18Updated 6 years ago
- python workflow for GW-BSE calculation☆28Updated 2 years ago
- ☆18Updated 6 years ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆28Updated 10 months ago
- ☆14Updated 5 years ago
- ☆23Updated last year