QijingZheng / pybandLinks
band plot using python matplotlib
☆165Updated 7 months ago
Alternatives and similar repositories for pyband
Users that are interested in pyband are comparing it to the libraries listed below
Sorting:
- Fix lattice component(s) during relaxation in VASP☆117Updated 3 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆115Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆126Updated 6 months ago
- ab-initio nonadiabatic molecular dynamics program☆106Updated last year
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆233Updated last month
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆161Updated last month
- VASPKIT_manual markdown source!☆79Updated 6 years ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆188Updated 2 weeks ago
- An updated version of the VASP2WANNIER90v2 interface☆92Updated last year
- Useful scripts for VASP☆188Updated 3 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- Electronic transport properties from first-principles calculations☆147Updated 3 weeks ago
- ☆119Updated 6 years ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆172Updated 8 years ago
- Defect structure-searching employing chemically-guided bond distortions☆93Updated 3 weeks ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 weeks ago
- Heavyweight plotting tools for ab initio calculations☆223Updated 3 weeks ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated last year
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 6 years ago
- New ASE compliant Python interface to VASP☆130Updated 3 years ago
- Concentric Approximation - Non-adiabatic Coupling☆24Updated 3 months ago
- Solvation model for the plane wave DFT code VASP.☆150Updated 10 months ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆78Updated last month
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 2 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
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆58Updated last week
- KPROJ: A Band Unfolding Program☆44Updated 3 months ago
- Effective Mass Calculator for Semiconductors☆106Updated 4 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆81Updated 5 years ago
- A grain boundary generation code☆67Updated last year