tilaskabengele / BiCrystalLinks
BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.
☆13Updated 2 years ago
Alternatives and similar repositories for BiCrystal
Users that are interested in BiCrystal are comparing it to the libraries listed below
Sorting:
- Quick tools for materials chemistry☆19Updated last year
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Updated 5 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 …☆22Updated 8 months ago
- Electro-Chemical Optimizer☆12Updated 8 months ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆21Updated 4 months ago
- Visualizations☆14Updated 3 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated last year
- ☆19Updated 7 years ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Updated 11 months ago
- Python package for enhancing VASP AIMD simulations and analysis☆13Updated 6 months ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 11 months ago
- Random symmetric initialization of crystals☆23Updated 7 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Updated 5 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆30Updated 3 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 3 years ago
- ☆22Updated 2 years ago
- Some ongoing projects in Zhu's group☆28Updated last year
- A collection of files related to machine learning force fields☆23Updated 2 years ago
- ☆12Updated 5 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- cif2cell compatible with Python 3+☆12Updated 3 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated 5 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 4 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Updated last year
- ☆21Updated last year
- 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）☆13Updated 4 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated 2 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated last year
- Automation of VASP DFT workflows with ASE - application scripts☆13Updated 2 years ago