Science Score: 26.0%
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Low similarity (13.0%) to scientific vocabulary
Repository
Symmetry and Solid State Physics
Basic Info
- Host: GitHub
- Owner: isaac-perez7053
- License: other
- Language: Python
- Default Branch: main
- Size: 3.92 MB
Statistics
- Stars: 5
- Watchers: 2
- Forks: 0
- Open Issues: 0
- Releases: 0
Metadata Files
README.md
SymmState
Applications of symmetry in solid state physics
Overview
SymmState is a Python package designed to calculate and analyze various symmetry applications within solid-state physics, such as flexoelectric and piezoelectric properties of materials. This package provides seamless interaction with Abinit, allowing users to conduct sophisticated simulations and analyses directly through Python. The package builds off of many Pymatgen objects for extended functionality.
Installation
To install the SymmState package, follow these steps:
- Install the package using pip:
bash pip install symmstate==0.9.5 - Download Abinit here and follow their installation instructions
- For symmetry-related functionality, download smodes here
- Once downloaded, type 'symmstate' to configure the package to your needs! Look at tests/live for examples of how to use the package.
Testing
To find some basic tests, run:
bash
symmstate test --help
Note, some of the tests use the pseudopotentials CaRev.psp8, TiRev.psp8, and ORev.psp8. This will require you to download from the pseudos in the pseudopotential folder before successfully running the tests.
Features
Symmetry Analysis: Perform advanced symmetry analysis on solid-state materials.
Flexoelectric Properties: Calculate flexoelectric properties for various materials and their evolution under particular perturbations.
Piezoelectric Properties: Evaluate the piezoelectric response of various materials and evolution under particular perturbations.
Abinit Integration: Interact seamlessly with Abinit for simulations
Future Features
- Extended Abinit interaction and functionality
- Automation of the calculation of symmetry informed phonon dispersion curves
- Extended interaction to Vasp through pymatgen
- Convergence of files using Abinit and Vasp
More features coming soon!
Feel free to explore and contribute to the development of SymmState as we continue to expand its capabilities for the scientific community interested in solid-state physics.
For any questions or feedback, please don't hesitate to reach out to us at the email isacvillages@gmail.com.
Owner
- Login: isaac-perez7053
- Kind: user
- Repositories: 1
- Profile: https://github.com/isaac-perez7053
GitHub Events
Total
- Watch event: 1
- Push event: 5
Last Year
- Watch event: 1
- Push event: 5
Dependencies
- matplotlib *
- numpy *
- pymatgen *
- scipy *
- numpy *