gmp007 / 2D_Elastic-Properties
First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures
☆16Updated last year
Alternatives and similar repositories for 2D_Elastic-Properties:
Users that are interested in 2D_Elastic-Properties are comparing it to the libraries listed below
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆13Updated last year
- A script for calculating Fermi-Softness.☆13Updated 3 years ago
- 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.☆19Updated 6 months ago
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆15Updated 6 years ago
- Tight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)☆10Updated 7 years ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- Automated DFT Input File Generator using wxDragon☆14Updated last year
- Some examples of using pymatgen code☆22Updated 7 months ago
- Phonon for AiiDA☆19Updated last month
- Quick tools for materials chemistry☆17Updated 10 months ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆20Updated 4 years ago
- Magnetic critical temperature Calculator☆17Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 2 weeks ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆12Updated 5 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated last year
- Sample codes on computational solid state physics☆13Updated 4 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- ☆16Updated 5 years ago
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Updated 4 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Calculate 3rd order elastic constant.☆13Updated last month
- Official Repository of the Optados code☆21Updated last month
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 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 last year
- ☆20Updated last year
- Electro-Chemical Optimizer☆10Updated 3 weeks ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆13Updated 2 years ago