lucydot / effmass
Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
☆70Updated last year
Related projects ⓘ
Alternatives and complementary repositories for effmass
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆46Updated 3 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆61Updated this week
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated 3 weeks ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆37Updated 6 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆55Updated this week
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆47Updated last week
- Phonon anharmonicity analysis from molecular dynamics☆112Updated this week
- VASP Convergence Testing (for Energy & Dielectric Constants)☆47Updated 6 months ago
- LAMMPS interface for phonon calculations using phonopy☆84Updated 2 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆62Updated 6 months ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆29Updated 6 months ago
- Export Eigenvectors from Phonopy format to VESTA☆33Updated last month
- Band unfolding for phonons☆50Updated 2 weeks ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆25Updated 11 months ago
- ☆62Updated 2 weeks ago
- ☆46Updated 2 years ago
- Band structure unfolding made easy!☆42Updated this week
- A plugin to AiiDA for running simulations with VASP☆48Updated this week
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- A Python suite for manipulating VASP input and output☆44Updated 4 months ago
- Occupation matrix control modification VASP☆42Updated 5 years ago
- Blender extensions for illustrations of phonons☆60Updated 5 years ago
- Materials Interface: methods in computational materials science☆26Updated 7 years ago
- Concentric Approximation - Non-adiabatic Coupling☆20Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆50Updated 2 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆105Updated 2 years ago
- A Wannier90 python interface for VASP and PySCF☆34Updated 9 months ago