phonopy / phonopy
Phonon code
☆357Updated this week
Related projects ⓘ
Alternatives and complementary repositories for phonopy
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆214Updated last month
- Official repository of the Wannier90 code☆237Updated last week
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆261Updated last week
- Heavyweight plotting tools for ab initio calculations☆201Updated last week
- ☆199Updated 4 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆146Updated 8 months ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆245Updated 4 months ago
- C library for finding and handling crystal symmetries☆283Updated this week
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆162Updated 8 years ago
- A Python library for electronic structure pre/post-processing☆171Updated last month
- Solvation model for the plane wave DFT code VASP.☆136Updated 4 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆139Updated 2 weeks ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆140Updated this week
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆229Updated 4 months ago
- band plot using python matplotlib☆155Updated 3 weeks ago
- New ASE compliant Python interface to VASP☆122Updated 2 years ago
- DFTB+ general package for performing fast atomistic simulations☆333Updated this week
- A simulation package of phonon-phonon interaction related properties☆125Updated this week
- Electronic transport properties from first-principles calculations☆134Updated 2 weeks ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆349Updated last month
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆204Updated 3 weeks ago
- Phonon anharmonicity analysis from molecular dynamics☆114Updated 2 weeks ago
- i-PI: a universal force engine☆234Updated this week
- atomate2 is a library of computational materials science workflows☆167Updated this week
- p4vasp, the VASP Visualization Tool☆138Updated 2 years ago
- Open-source library for analyzing the results produced by ABINIT☆116Updated this week
- n2p2 - A Neural Network Potential Package☆223Updated last month
- A code to generate atomic structure with symmetry☆270Updated 2 weeks ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆201Updated this week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆98Updated 2 weeks ago