gmp007 / 2D_Elastic-Properties
First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures
☆15Updated 10 months ago
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 2 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆16Updated 2 years ago
- Tight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)☆10Updated 7 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆14Updated last year
- Automated DFT Input File Generator using wxDragon☆14Updated last year
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆18Updated 3 months ago
- Calculate 3rd order elastic constant.☆13Updated 3 years ago
- Magnetic critical temperature Calculator☆17Updated 9 months ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆12Updated 2 weeks ago
- Builds 2D heterostructures via coincidence lattice theory.☆13Updated last year
- 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 5 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆11Updated last year
- ☆11Updated 4 years ago
- Some examples of using pymatgen code☆21Updated 4 months ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆11Updated 5 years ago
- Automation of VASP DFT workflows with ASE - application scripts☆12Updated last year
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Updated 2 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Quick tools for materials chemistry☆15Updated 8 months ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆19Updated 4 years ago
- Phonon for AiiDA☆18Updated this week
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- Julia codes to play with Phonons☆23Updated 6 years ago
- Python package to simulate differential absorption spectra of crystals from first principles☆25Updated 11 months ago
- Official Repository of the Optados code☆21Updated 2 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆16Updated 2 years ago