QijingZheng / pybandLinks
band plot using python matplotlib
☆165Updated 9 months ago
Alternatives and similar repositories for pyband
Users that are interested in pyband are comparing it to the libraries listed below
Sorting:
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆116Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 8 months ago
- ab-initio nonadiabatic molecular dynamics program☆108Updated last year
- Fix lattice component(s) during relaxation in VASP☆123Updated 3 years ago
- An updated version of the VASP2WANNIER90v2 interface☆97Updated last year
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆241Updated 3 months ago
- Useful scripts for VASP☆190Updated 3 years ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆172Updated 8 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆84Updated 4 months ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆167Updated last week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- KPROJ: A Band Unfolding Program☆45Updated 5 months ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago
- ☆121Updated 6 years ago
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- Concentric Approximation - Non-adiabatic Coupling☆24Updated 5 months ago
- Export Eigenvectors from Phonopy format to VESTA☆45Updated 7 months ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆82Updated 5 years ago
- Electronic transport properties from first-principles calculations☆153Updated 3 weeks ago
- Heavyweight plotting tools for ab initio calculations☆226Updated 2 months ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- Effective Mass Calculator for Semiconductors☆108Updated 4 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆67Updated 3 weeks ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆71Updated 11 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- VASPKIT_manual markdown source!☆79Updated 6 years ago
- ☆67Updated 2 weeks ago