phonopy / phonopyLinks
Phonon code
☆445Updated last week
Alternatives and similar repositories for phonopy
Users that are interested in phonopy are comparing it to the libraries listed below
Sorting:
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆260Updated 8 months ago
- C library for finding and handling crystal symmetries☆348Updated last week
- Official repository of the Wannier90 code☆295Updated last month
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆315Updated 6 months ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- A Python library for electronic structure pre/post-processing☆196Updated last month
- ☆230Updated 5 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆182Updated 3 weeks ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆179Updated this week
- Heavyweight plotting tools for ab initio calculations☆235Updated 7 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆272Updated 3 weeks ago
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆238Updated 2 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆227Updated last week
- New ASE compliant Python interface to VASP☆135Updated 3 years ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆376Updated last week
- Electronic transport properties from first-principles calculations☆157Updated 2 weeks ago
- A code to generate atomic structure with symmetry☆351Updated last week
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆217Updated 2 weeks ago
- A simulation package of phonon-phonon interaction related properties☆154Updated last week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆177Updated last month
- i-PI: a universal force engine☆284Updated last month
- Useful scripts for VASP☆195Updated 4 years ago
- DFTB+ general package for performing fast atomistic simulations☆403Updated last week
- n2p2 - A Neural Network Potential Package☆240Updated 9 months ago
- Solvation model for the plane wave DFT code VASP.☆171Updated 2 months ago
- Phonon anharmonicity analysis from molecular dynamics☆135Updated 2 months ago
- Manipulating VASP files with Python.☆290Updated 3 years ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆169Updated 2 weeks ago
- A Python package for manipulating atomistic data of software in computational science☆238Updated last week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆147Updated 8 months ago