andreww / elastic-constantsLinks
Scripts to calculate elastic properties from a set of strained structures
☆19Updated 11 months ago
Alternatives and similar repositories for elastic-constants
Users that are interested in elastic-constants are comparing it to the libraries listed below
Sorting:
- A real-space DFT code☆16Updated 4 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆12Updated 4 months ago
- Learning Molecular Dynamics with LAMMPS☆15Updated last year
- ☆20Updated last year
- A general parser for VASP☆13Updated 2 weeks ago
- Minimum-strain symmetrization of Bravais lattices☆17Updated 5 years ago
- A Basic Symmetry Module (Python)☆17Updated 2 months ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated this week
- generator of simple atomistic models☆28Updated 6 years ago
- MAterials Simulation Toolkit for use with pymatgen☆17Updated last year
- Semiemperical quasiharmonic thermal elasticity☆19Updated last year
- A module for ASE for elastic constants calculation.☆45Updated 4 months ago
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- NIST Interatomic Potential Repository property calculation tools☆12Updated 2 months ago
- A Python library to calculate elastic properties of materials.☆58Updated 3 years ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆26Updated this week
- 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 month
- Course materials for NANO 106 - Crystallography of Materials☆34Updated 3 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated last year
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated 2 months ago
- A fully automated approach to determine the melting temperature of crystalline materials☆20Updated 11 months ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆33Updated 3 months ago
- DFT simulation of He atom☆13Updated 3 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆22Updated 9 years ago
- Effective mass calculation with DFT☆16Updated 9 months ago
- NIST Interatomic Potential Repository property calculation tools☆23Updated last year
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Updated last year
- ☆20Updated last year
- Phonon for AiiDA☆20Updated 3 months ago