abinit / abipyLinks
Open-source library for analyzing the results produced by ABINIT
☆129Updated last week
Alternatives and similar repositories for abipy
Users that are interested in abipy are comparing it to the libraries listed below
Sorting:
- A simulation package of phonon-phonon interaction related properties☆148Updated last week
- JDFTx: software for joint density functional theory☆94Updated last week
- A Python library for electronic structure pre/post-processing☆190Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆144Updated 7 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆182Updated 2 weeks ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆173Updated 2 months ago
- Electronic transport properties from first-principles calculations☆156Updated 2 weeks ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 5 months ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Updated last year
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated 3 weeks ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆216Updated this week
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆89Updated last week
- Fermi surface generation, analysis and visualisation.☆97Updated 3 weeks ago
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆120Updated last year
- Python package to analyse electron density & electrostatic potential grids☆88Updated last year
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆103Updated last year
- BandUP: Band Unfolding code for Plane-wave based calculations☆103Updated 4 years ago
- The official AiiDA plugin for Quantum ESPRESSO☆68Updated last week
- Python framework for generating and validating pseudo potentials☆48Updated last year
- 1D density functional theory code in Python☆137Updated 2 years ago
- New ASE compliant Python interface to VASP☆134Updated 3 years ago
- Atomistic Manipulation Toolkit☆92Updated 2 months ago
- General purpose tools for high-throughput catalysis☆96Updated 5 months ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆59Updated this week
- ase interface for Quantum Espresso☆68Updated 5 years ago
- ELATE: Elastic tensor analysis☆86Updated last month
- ASE density-functional tight-binding calculator☆66Updated 9 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated last week
- A Virtual Machine for computational materials science☆94Updated last month
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago