Linqiaosong / Fermi-Softness-for-VASP
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
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆16Updated 2 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆18Updated 4 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
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- A Python package for enhancing VASP AIMD simulations and analysis☆12Updated last week
- Tools for Phono(3)py power users.☆32Updated last year
- Some useful vasp scripts and tools☆22Updated 5 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆17Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years 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 11 months ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆20Updated last year
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆16Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆15Updated last month
- Quick tools for materials chemistry☆15Updated 8 months ago
- ☆14Updated 4 years ago
- ☆24Updated last year
- python workflow for GW-BSE calculation☆25Updated last year
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆25Updated last month
- Molecular dynamics package designed for the SIESTA DFT code.☆14Updated 2 weeks ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆11Updated 5 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆13Updated last year
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Calculate 3rd order elastic constant.☆13Updated 3 years ago
- ☆18Updated 6 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- ☆18Updated 5 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆10Updated 3 months ago