quanshengwu / wannier_tools
WannierTools: An open-source software package for novel topological materials. Full documentation:
☆275Updated 2 months ago
Alternatives and similar repositories for wannier_tools:
Users that are interested in wannier_tools are comparing it to the libraries listed below
- Official repository of the Wannier90 code☆253Updated this week
- A Python library for electronic structure pre/post-processing☆178Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆132Updated 2 months ago
- ☆205Updated 4 years ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆97Updated last week
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆112Updated 2 years ago
- Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.☆126Updated last month
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆224Updated 5 months ago
- Phonon code☆382Updated this week
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆171Updated 8 years ago
- An updated version of the VASP2WANNIER90v2 interface☆91Updated last year
- band plot using python matplotlib☆159Updated 4 months ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆87Updated this week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆153Updated this week
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆78Updated 5 years ago
- Electronic transport properties from first-principles calculations☆141Updated 2 weeks ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆164Updated this week
- ☆49Updated last year
- Visualise lattice vibrations☆92Updated last month
- BandUP: Band Unfolding code for Plane-wave based calculations☆99Updated 3 years ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆203Updated this week
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆72Updated 2 months ago
- ab-initio nonadiabatic molecular dynamics program☆102Updated 10 months ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆96Updated last week
- A relaxed kp model of twisted bilayer graphene☆45Updated last year
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆57Updated 3 years ago
- ☆65Updated last week
- A simulation package of phonon-phonon interaction related properties☆131Updated this week
- Effective Mass Calculator for Semiconductors☆106Updated 4 years ago
- New ASE compliant Python interface to VASP☆127Updated 2 years ago